N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C24H22N2OS — CID 50928143

IUPACN-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(-c2csc(C(=O)Nc3cc(C)ccc3C)c2-n2cccc2)c1
InChIInChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)20-15-28-23(22(20)26-11-4-5-12-26)24(27)25-21-14-17(2)9-10-18(21)3/h4-15H,1-3H3,(H,25,27)
InChIKeyXVBGEMDGUZZZCP-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.38
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 50928143) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID50928143
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(-c2csc(C(=O)Nc3cc(C)ccc3C)c2-n2cccc2)c1
InChIInChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)20-15-28-23(22(20)26-11-4-5-12-26)24(27)25-21-14-17(2)9-10-18(21)3/h4-15H,1-3H3,(H,25,27)
InChIKeyXVBGEMDGUZZZCP-UHFFFAOYSA-N
XLogP6.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928163
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
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002190
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-(2,5-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45499348
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 50928143) is N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is Cc1cccc(-c2csc(C(=O)Nc3cc(C)ccc3C)c2-n2cccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is XVBGEMDGUZZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)20-15-28-23(22(20)26-11-4-5-12-26)24(27)25-21-14-17(2)9-10-18(21)3/h4-15H,1-3H3,(H,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 50928143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).