N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

C18H14ClNOS — CID 7668004

IUPACN-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClNOS/c1-12-5-7-13(8-6-12)16-9-10-22-17(16)18(21)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,21)
InChIKeyGRPWERVMQWLPGB-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.63
Rot. Bonds3

About N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 7668004) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID7668004
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC NameN-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClNOS/c1-12-5-7-13(8-6-12)16-9-10-22-17(16)18(21)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,21)
InChIKeyGRPWERVMQWLPGB-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
3-(4-methylphenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24600385
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55805558
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
CID 70121238
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7669337
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47143281

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 7668004) is N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is GRPWERVMQWLPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c1-12-5-7-13(8-6-12)16-9-10-22-17(16)18(21)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 327.84 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 7668004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).