N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide

C13H12ClNO2S — CID 731690

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccs1
InChIInChI=1S/C13H12ClNO2S/c1-8-6-10(11(17-2)7-9(8)14)15-13(16)12-4-3-5-18-12/h3-7H,1-2H3,(H,15,16)
InChIKeyKUAGGPJFSBECQT-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.97
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 731690) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
PubChem CID731690
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccs1
InChIInChI=1S/C13H12ClNO2S/c1-8-6-10(11(17-2)7-9(8)14)15-13(16)12-4-3-5-18-12/h3-7H,1-2H3,(H,15,16)
InChIKeyKUAGGPJFSBECQT-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55755853
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46625233
N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020009
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide (CID 731690) is N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KUAGGPJFSBECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8-6-10(11(17-2)7-9(8)14)15-13(16)12-4-3-5-18-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 281.76 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 731690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).