N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C13H12ClNO2S — CID 1245952

IUPACN-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)s2)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-8-3-6-12(18-8)13(16)15-9-4-5-11(17-2)10(14)7-9/h3-7H,1-2H3,(H,15,16)
InChIKeyDVDOFJUCIFORKY-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.97
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 1245952) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID1245952
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)s2)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-8-3-6-12(18-8)13(16)15-9-4-5-11(17-2)10(14)7-9/h3-7H,1-2H3,(H,15,16)
InChIKeyDVDOFJUCIFORKY-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-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8940488
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
2-N-(3-chloro-4-methoxyphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816348
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(3-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304588
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 1245952) is N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(C)s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is DVDOFJUCIFORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8-3-6-12(18-8)13(16)15-9-4-5-11(17-2)10(14)7-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-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-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1245952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).