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

C20H17ClN2O2S — CID 7312069

IUPAC4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C20H17ClN2O2S/c1-13-5-2-3-7-17(13)23-20(25)14-8-9-16(21)18(11-14)22-19(24)12-15-6-4-10-26-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyCGARJXDOWZSELF-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.14
Rot. Bonds5

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

4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 7312069) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID7312069
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C20H17ClN2O2S/c1-13-5-2-3-7-17(13)23-20(25)14-8-9-16(21)18(11-14)22-19(24)12-15-6-4-10-26-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyCGARJXDOWZSELF-UHFFFAOYSA-N
XLogP5.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 56692214
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 86821541
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
4-chloro-3-[[2-(thiophen-2-ylmethylamino)acetyl]amino]benzoic acid
CID 103237382
2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide
CID 122147242
4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 17358957
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 7312069) is 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide is Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1.
What is the InChIKey of 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is CGARJXDOWZSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-13-5-2-3-7-17(13)23-20(25)14-8-9-16(21)18(11-14)22-19(24)12-15-6-4-10-26-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide?
4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 384.89 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 7312069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).