Chemical Components in the PDB

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20Y : Summary

Code

20Y

One-letter code

X

Molecule name

4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
OpenEye OEToolkits 1.7.6 4-acetamido-N-(2-azanyl-5-thiophen-2-yl-phenyl)benzamide

Formula

C19 H17 N3 O2 S

Formal charge

0

Molecular weight

351.422 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ccc(cc1)C(=O)Nc2c(N)ccc(c2)c3sccc3)C
SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3
SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3
Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3

IUPAC InChI

InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)

IUPAC InChI key

ABZSPJVXTTUFAA-UHFFFAOYSA-N
20Y

wwPDB Information

Atom count

42 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-14

Last modified at

2013-08-16

Status

Released

Obsoleted

Not Assigned