N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N2O2S — CID 42944494

IUPACN-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1
InChIInChI=1S/C22H24N2O2S/c1-27-19-11-9-18(10-12-19)24-14-17(13-20(24)25)22(26)23-21(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-12,16-17,21H,7-8,13-14H2,1H3,(H,23,26)
InChIKeyUVFYBNXJQOYQSM-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.03
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42944494) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42944494
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1
InChIInChI=1S/C22H24N2O2S/c1-27-19-11-9-18(10-12-19)24-14-17(13-20(24)25)22(26)23-21(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-12,16-17,21H,7-8,13-14H2,1H3,(H,23,26)
InChIKeyUVFYBNXJQOYQSM-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 43037306
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43072311
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42944494) is N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1ccc(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UVFYBNXJQOYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-27-19-11-9-18(10-12-19)24-14-17(13-20(24)25)22(26)23-21(16-7-8-16)15-5-3-2-4-6-15/h2-6,9-12,16-17,21H,7-8,13-14H2,1H3,(H,23,26).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42944494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).