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

C22H18N2O2S — CID 53002042

IUPACN-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C22H18N2O2S/c1-26-19-12-6-5-11-18(19)23-22(25)21-20(24-13-7-8-14-24)17(15-27-21)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25)
InChIKeyPHPJDEHKKYYKFF-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.47
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002042) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002042
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C22H18N2O2S/c1-26-19-12-6-5-11-18(19)23-22(25)21-20(24-13-7-8-14-24)17(15-27-21)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25)
InChIKeyPHPJDEHKKYYKFF-UHFFFAOYSA-N
XLogP5.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.47
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
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002190
N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002036
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928143
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 102081930
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002042) is N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide is COc1ccccc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is PHPJDEHKKYYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-26-19-12-6-5-11-18(19)23-22(25)21-20(24-13-7-8-14-24)17(15-27-21)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).