(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one

C18H19NO3S — CID 134920504

IUPAC(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C[C@@H](c3ccccc3)[C@@H]2C)cc1
InChIInChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-14(2)17(12-18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17+/m0/s1
InChIKeyRNNJHFDYOFDPFW-WMLDXEAASA-N
MW329.42 g/mol
LogP3.09
Rot. Bonds3

About (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one

(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one (PubChem CID 134920504) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
PubChem CID134920504
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C[C@@H](c3ccccc3)[C@@H]2C)cc1
InChIInChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-14(2)17(12-18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17+/m0/s1
InChIKeyRNNJHFDYOFDPFW-WMLDXEAASA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
Sulfonamide deriv., 7c
CID 3433937
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(3-sulfamoylphenyl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895826
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-2-phenyl-N-propyl-acetamide
CID 478450
Benzenepropanamide, N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-propyl-
CID 478452
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one (CID 134920504) is (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C[C@@H](c3ccccc3)[C@@H]2C)cc1.
What is the InChIKey of (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The InChIKey is RNNJHFDYOFDPFW-WMLDXEAASA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-14(2)17(12-18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one?
(4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 134920504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).