4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C22H17ClN2O2S — CID 53002190

IUPAC4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C22H17ClN2O2S/c1-27-19-7-3-2-6-18(19)24-22(26)21-20(25-12-4-5-13-25)17(14-28-21)15-8-10-16(23)11-9-15/h2-14H,1H3,(H,24,26)
InChIKeyDZCMCGGSDMOQMS-UHFFFAOYSA-N
MW408.91 g/mol
LogP6.12
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002190) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002190
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC Name4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C22H17ClN2O2S/c1-27-19-7-3-2-6-18(19)24-22(26)21-20(25-12-4-5-13-25)17(14-28-21)15-8-10-16(23)11-9-15/h2-14H,1H3,(H,24,26)
InChIKeyDZCMCGGSDMOQMS-UHFFFAOYSA-N
XLogP6.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002095
N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002036
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928143
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002190) is 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is COc1ccccc1NC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is DZCMCGGSDMOQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c1-27-19-7-3-2-6-18(19)24-22(26)21-20(25-12-4-5-13-25)17(14-28-21)15-8-10-16(23)11-9-15/h2-14H,1H3,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).