(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one

C20H23NO3S — CID 11199116

IUPAC(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](c2ccccc2)[C@H](S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H23NO3S/c1-20(2,3)21-14-17(15-10-6-4-7-11-15)18(19(21)22)25(23,24)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3/t17-,18-/m0/s1
InChIKeyASLXVOIKDCOQDV-ROUUACIJSA-N
MW357.47 g/mol
LogP3.25
Rot. Bonds3

About (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one

(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one (PubChem CID 11199116) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
PubChem CID11199116
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](c2ccccc2)[C@H](S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H23NO3S/c1-20(2,3)21-14-17(15-10-6-4-7-11-15)18(19(21)22)25(23,24)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3/t17-,18-/m0/s1
InChIKeyASLXVOIKDCOQDV-ROUUACIJSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
(3R,4S)-3-(benzenesulfonyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 101255253
1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
CID 86092012
(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
CID 10592538
1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one
CID 101169796
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
CID 11728948
(3S,4R)-3-(benzenesulfonyl)-1-butyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
CID 101160395
(7aS)-6-(benzenesulfonyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11748455
(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
CID 101269410
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 120766000
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one (CID 11199116) is (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one is CC(C)(C)N1C[C@@H](c2ccccc2)[C@H](S(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one?
The InChIKey is ASLXVOIKDCOQDV-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-20(2,3)21-14-17(15-10-6-4-7-11-15)18(19(21)22)25(23,24)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one?
(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one has a molecular weight of 357.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 11199116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).