N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide

C12H9ClN2O2S — CID 39170420

IUPACN-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccsc2)cc1Cl
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-8(1-2-9(10)11(14)16)15-12(17)7-3-4-18-6-7/h1-6H,(H2,14,16)(H,15,17)
InChIKeyJRRKNISENIUQLK-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.75
Rot. Bonds3

About N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide

N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide (PubChem CID 39170420) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
PubChem CID39170420
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccsc2)cc1Cl
InChIInChI=1S/C12H9ClN2O2S/c13-10-5-8(1-2-9(10)11(14)16)15-12(17)7-3-4-18-6-7/h1-6H,(H2,14,16)(H,15,17)
InChIKeyJRRKNISENIUQLK-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide (CID 39170420) is N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide is NC(=O)c1ccc(NC(=O)c2ccsc2)cc1Cl.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is JRRKNISENIUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-10-5-8(1-2-9(10)11(14)16)15-12(17)7-3-4-18-6-7/h1-6H,(H2,14,16)(H,15,17).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 39170420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).