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

C22H27NO4S — CID 134881893

IUPAC(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H27NO4S/c1-16(2)15-19(28(25,26)18-13-9-6-10-14-18)23-20(17-11-7-5-8-12-17)22(3,4)27-21(23)24/h5-14,16,19-20H,15H2,1-4H3/t19?,20-/m1/s1
InChIKeyMUDLVLJHKYCOAX-GFOWMXPYSA-N
MW401.53 g/mol
LogP4.80
Rot. Bonds6

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

(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134881893) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134881893
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H27NO4S/c1-16(2)15-19(28(25,26)18-13-9-6-10-14-18)23-20(17-11-7-5-8-12-17)22(3,4)27-21(23)24/h5-14,16,19-20H,15H2,1-4H3/t19?,20-/m1/s1
InChIKeyMUDLVLJHKYCOAX-GFOWMXPYSA-N
XLogP4.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-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

(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134926070
(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 102477049
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
(4S)-3-[(2S)-2-[(4-bromophenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 58354357
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
1-bromoethylsulfonylbenzene
CID 13411545
[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene
CID 13182054
methyl 2-[(5,5-dimethyl-2-oxo-4-phenyloxolan-3-ylidene)amino]-4-methylpentanoate
CID 91275245
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 102464759

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 134881893) is (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC(C)CC(N1C(=O)OC(C)(C)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MUDLVLJHKYCOAX-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-16(2)15-19(28(25,26)18-13-9-6-10-14-18)23-20(17-11-7-5-8-12-17)22(3,4)27-21(23)24/h5-14,16,19-20H,15H2,1-4H3/t19?,20-/m1/s1.
What are the key properties of (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 401.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134881893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).