N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C24H23N3O3S — CID 56516973

IUPACN-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)Nc3ccc(C(N)=O)c(C)c3)C2c2cccs2)cc1
InChIInChI=1S/C24H23N3O3S/c1-14-5-8-17(9-6-14)27-21(28)13-19(22(27)20-4-3-11-31-20)24(30)26-16-7-10-18(23(25)29)15(2)12-16/h3-12,19,22H,13H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyLXAOGGYWNKYZGL-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.20
Rot. Bonds5

About N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 56516973) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID56516973
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)Nc3ccc(C(N)=O)c(C)c3)C2c2cccs2)cc1
InChIInChI=1S/C24H23N3O3S/c1-14-5-8-17(9-6-14)27-21(28)13-19(22(27)20-4-3-11-31-20)24(30)26-16-7-10-18(23(25)29)15(2)12-16/h3-12,19,22H,13H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyLXAOGGYWNKYZGL-UHFFFAOYSA-N
XLogP4.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 26908261
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55380770
N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86874286
methyl N-[4-[[[1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55732163
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-1H-pyridin-3-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95139249
(2-anilino-2-oxoethyl) 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate
CID 42984570
(2S,3R)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899622
(2S,3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899623
1-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55822927
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55613841
(2S,3S)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 2557865

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 56516973) is N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2C(=O)CC(C(=O)Nc3ccc(C(N)=O)c(C)c3)C2c2cccs2)cc1.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LXAOGGYWNKYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-14-5-8-17(9-6-14)27-21(28)13-19(22(27)20-4-3-11-31-20)24(30)26-16-7-10-18(23(25)29)15(2)12-16/h3-12,19,22H,13H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56516973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).