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

C23H20N2OS — CID 50928163

IUPACN-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1ccc(-c2csc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-16-9-11-18(12-10-16)19-15-27-22(21(19)25-13-5-6-14-25)23(26)24-20-8-4-3-7-17(20)2/h3-15H,1-2H3,(H,24,26)
InChIKeyAGJIOHBZADHPGI-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.07
Rot. Bonds4

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

N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 50928163) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID50928163
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1ccc(-c2csc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-16-9-11-18(12-10-16)19-15-27-22(21(19)25-13-5-6-14-25)23(26)24-20-8-4-3-7-17(20)2/h3-15H,1-2H3,(H,24,26)
InChIKeyAGJIOHBZADHPGI-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-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002095
N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002036
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928143
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-methylphenyl)-N-pentyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002123
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 27372856
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 50928163) is N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is Cc1ccc(-c2csc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is AGJIOHBZADHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-9-11-18(12-10-16)19-15-27-22(21(19)25-13-5-6-14-25)23(26)24-20-8-4-3-7-17(20)2/h3-15H,1-2H3,(H,24,26).
What are the key properties of N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-methylphenyl)-4-(4-methylphenyl)-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-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 50928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).