N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide

C12H10ClNO2S — CID 878235

IUPACN-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h2-7H,1H3,(H,14,15)
InChIKeyCBPNVNUKEJASSX-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.66
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 878235) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID878235
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC NameN-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h2-7H,1H3,(H,14,15)
InChIKeyCBPNVNUKEJASSX-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313
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-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide (CID 878235) is N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is CBPNVNUKEJASSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 878235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).