N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide

C19H15ClN2O3S — CID 1092658

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S/c1-25-16-11-12(21-19(24)17-7-4-10-26-17)8-9-15(16)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyRSXKSXZORCZCRG-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.91
Rot. Bonds5

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 1092658) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
PubChem CID1092658
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S/c1-25-16-11-12(21-19(24)17-7-4-10-26-17)8-9-15(16)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyRSXKSXZORCZCRG-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1284316
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-(4-{[(2,4-dimethylphenyl)carbonyl]amino}-2-methoxyphenyl)thiophene-2-carboxamide
CID 1088354
N-{2,5-Dimethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-N'-p-tolyl-succinamide
CID 1139093
N-{2,5-dimethoxy-4-[(2-thienylacetyl)amino]phenyl}benzamide
CID 1164412
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832
2-chloro-N-{4-[(2-fluorobenzoyl)amino]-2-methoxyphenyl}benzamide
CID 1313347
N-[2-methoxy-4-[(2-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1319207
N-[4-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1322277
Thiophene-2-carboxylic acid (2,5-dimethoxy-4-phenylacetylamino-phenyl)-amide
CID 1428071
N-(4-{[(3-Chlorophenyl)carbamoyl]amino}-2,5-dimethoxyphenyl)thiophene-2-carboxamide
CID 1428109
N-(2,5-dimethoxyphenyl)-4-(2-thienyl)benzenecarboxamide
CID 1483505

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide (CID 1092658) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is RSXKSXZORCZCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-25-16-11-12(21-19(24)17-7-4-10-26-17)8-9-15(16)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1092658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).