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

C23H20N2OS — CID 53002036

IUPACN-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1C
InChIInChI=1S/C23H20N2OS/c1-16-9-8-12-20(17(16)2)24-23(26)22-21(25-13-6-7-14-25)19(15-27-22)18-10-4-3-5-11-18/h3-15H,1-2H3,(H,24,26)
InChIKeyXVLAYNOXTMFBIM-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.07
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002036) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002036
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1C
InChIInChI=1S/C23H20N2OS/c1-16-9-8-12-20(17(16)2)24-23(26)22-21(25-13-6-7-14-25)19(15-27-22)18-10-4-3-5-11-18/h3-15H,1-2H3,(H,24,26)
InChIKeyXVLAYNOXTMFBIM-UHFFFAOYSA-N
XLogP6.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.07
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-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928143
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610
(2R)-N-(2,3-dimethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7710373
N-(2,3-dimethylphenyl)-1,2-thiazole-5-carboxamide
CID 110692180
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002036) is N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide is Cc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is XVLAYNOXTMFBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-9-8-12-20(17(16)2)24-23(26)22-21(25-13-6-7-14-25)19(15-27-22)18-10-4-3-5-11-18/h3-15H,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).