(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one

C24H23NO4S — CID 10740870

IUPAC(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H23NO4S/c26-23-16-22(29-18-20-12-6-2-7-13-20)24(25(23)17-19-10-4-1-5-11-19)30(27,28)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2/t22-,24+/m0/s1
InChIKeyGRZAKCXNSVVPEK-LADGPHEKSA-N
MW421.52 g/mol
LogP3.80
Rot. Bonds7

About (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 10740870) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID10740870
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H23NO4S/c26-23-16-22(29-18-20-12-6-2-7-13-20)24(25(23)17-19-10-4-1-5-11-19)30(27,28)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2/t22-,24+/m0/s1
InChIKeyGRZAKCXNSVVPEK-LADGPHEKSA-N
XLogP3.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-2-(4-methylsulfonylphenyl)-1,3-oxazolidin-4-one
CID 76326472
(4S,5S)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
CID 101060612
(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134881751
(4S)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
CID 15286681
4-[Benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine
CID 67099956
1-[(2R,4R)-4-benzyl-2-phenyl-1,3-oxazolidin-3-yl]-2-phenylsulfanylethanone
CID 140462417
(4S)-3-[(1R)-1-(benzenesulfonyl)-5-phenylmethoxypentyl]-4-benzyl-1,3-oxazolidin-2-one
CID 11167816
(4R,5S)-3-[(1S,2R,5S)-5-(benzenesulfonyl)-2-methoxy-2-methylcyclopent-3-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 11812953
(2R)-1-(benzenesulfonyl)-N-benzyl-N-[[(2S)-oxiran-2-yl]methyl]-3-phenylmethoxypropan-2-amine
CID 11826505
3-[(4-Methylsulfonylphenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
CID 24070539
1-(2-Phenylmorpholino)-3-(phenylsulfonyl)propan-1-one
CID 45557352
1-Benzyl-4-(benzyloxy)-5-(phenylsulfanyl)pyrrolidin-2-one
CID 71378861

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one (CID 10740870) is (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is GRZAKCXNSVVPEK-LADGPHEKSA-N. The full InChI is InChI=1S/C24H23NO4S/c26-23-16-22(29-18-20-12-6-2-7-13-20)24(25(23)17-19-10-4-1-5-11-19)30(27,28)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2/t22-,24+/m0/s1.
What are the key properties of (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 421.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 10740870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).