4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide

C21H19ClN2O3S — CID 56692214

IUPAC4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-2-27-19-8-4-3-7-17(19)24-21(26)14-9-10-16(22)18(12-14)23-20(25)13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNZVFDGGBPHBPC-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.23
Rot. Bonds7

About 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide

4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 56692214) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID56692214
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-2-27-19-8-4-3-7-17(19)24-21(26)14-9-10-16(22)18(12-14)23-20(25)13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNZVFDGGBPHBPC-UHFFFAOYSA-N
XLogP5.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 7312069
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 56692214) is 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide is CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1.
What is the InChIKey of 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is CNZVFDGGBPHBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-2-27-19-8-4-3-7-17(19)24-21(26)14-9-10-16(22)18(12-14)23-20(25)13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 56692214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).