N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide

C13H11ClN2O3S — CID 110866426

IUPACN-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(7-9(10)14)15-13(18)16-12(17)11-3-2-6-20-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyZJSFJRUFSLMELN-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.37
Rot. Bonds3

About N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide

N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide (PubChem CID 110866426) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
PubChem CID110866426
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(7-9(10)14)15-13(18)16-12(17)11-3-2-6-20-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyZJSFJRUFSLMELN-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895048
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide (CID 110866426) is N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide is COc1ccc(NC(=O)NC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
The InChIKey is ZJSFJRUFSLMELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-10-5-4-8(7-9(10)14)15-13(18)16-12(17)11-3-2-6-20-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide?
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 110866426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).