(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C29H33NO5S — CID 134881751

IUPAC(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(CCCCOCc2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H33NO5S/c1-29(2)27(24-16-8-4-9-17-24)30(28(31)35-29)26(36(32,33)25-18-10-5-11-19-25)20-12-13-21-34-22-23-14-6-3-7-15-23/h3-11,14-19,26-27H,12-13,20-22H2,1-2H3/t26?,27-/m1/s1
InChIKeySDJSRVMBSKQWLP-SSYAZFEXSA-N
MW507.65 g/mol
LogP6.15
Rot. Bonds11

About (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134881751) has the molecular formula C29H33NO5S and a molecular weight of 507.65 g/mol. Its IUPAC name is (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134881751
Molecular FormulaC29H33NO5S
Molecular Weight507.65 g/mol
Exact Mass507.21
IUPAC Name(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(CCCCOCc2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H33NO5S/c1-29(2)27(24-16-8-4-9-17-24)30(28(31)35-29)26(36(32,33)25-18-10-5-11-19-25)20-12-13-21-34-22-23-14-6-3-7-15-23/h3-11,14-19,26-27H,12-13,20-22H2,1-2H3/t26?,27-/m1/s1
InChIKeySDJSRVMBSKQWLP-SSYAZFEXSA-N
XLogP6.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
CID 101060612
(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate
CID 56594939
(4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-(3-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 90322365
1-[(4S,5S)-4-[(3,5-difluorophenyl)methyl]-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidin-3-yl]ethanone
CID 90699788
tert-butyl (2R,3S,5S)-3-(benzenesulfonyl)-2-(hydroxymethyl)-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 10528005
(4S,5R)-1-[(1S)-1-(benzenesulfonyl)-5-phenylmethoxypentyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10720374
(4S,5R)-5-(benzenesulfonyl)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
CID 10740870
(4R)-3-[(1S)-1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 10971416
benzyl (2S,3R)-3-[2-(benzenesulfonyl)propan-2-yl]-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11038309
(4R)-3-[1-(benzenesulfonyl)ethyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 12158425
(2S,3R,4R)-1-benzyl-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 45142413
tert-butyl (3R,5S,6R)-2-oxo-5,6-diphenyl-3-phenylsulfanylmorpholine-4-carboxylate
CID 134872120

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 134881751) is (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(CCCCOCc2ccccc2)S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SDJSRVMBSKQWLP-SSYAZFEXSA-N. The full InChI is InChI=1S/C29H33NO5S/c1-29(2)27(24-16-8-4-9-17-24)30(28(31)35-29)26(36(32,33)25-18-10-5-11-19-25)20-12-13-21-34-22-23-14-6-3-7-15-23/h3-11,14-19,26-27H,12-13,20-22H2,1-2H3/t26?,27-/m1/s1.
What are the key properties of (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 507.65 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(benzenesulfonyl)-5-phenylmethoxypentyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134881751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).