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

C23H20N2O2S — CID 53002095

IUPACN-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1
InChIInChI=1S/C23H20N2O2S/c1-16-9-11-17(12-10-16)18-15-28-22(21(18)25-13-5-6-14-25)23(26)24-19-7-3-4-8-20(19)27-2/h3-15H,1-2H3,(H,24,26)
InChIKeyVWXZDUXJDGWNQX-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.78
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002095) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002095
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1
InChIInChI=1S/C23H20N2O2S/c1-16-9-11-17(12-10-16)18-15-28-22(21(18)25-13-5-6-14-25)23(26)24-19-7-3-4-8-20(19)27-2/h3-15H,1-2H3,(H,24,26)
InChIKeyVWXZDUXJDGWNQX-UHFFFAOYSA-N
XLogP5.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2-methylphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928163
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
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
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
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002095) is N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is COc1ccccc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is VWXZDUXJDGWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16-9-11-17(12-10-16)18-15-28-22(21(18)25-13-5-6-14-25)23(26)24-19-7-3-4-8-20(19)27-2/h3-15H,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.78, 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-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).