(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide

C19H24N2O4S — CID 93000172

IUPAC(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc([C@@H]2[C@H](S(=O)(=O)N[C@@H](C)c3ccccc3)CON2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(15-7-5-4-6-8-15)20-26(22,23)18-13-25-21(2)19(18)16-9-11-17(24-3)12-10-16/h4-12,14,18-20H,13H2,1-3H3/t14-,18+,19+/m0/s1
InChIKeyPSDCAYKENIPAAN-GDIGMMSISA-N
MW376.48 g/mol
LogP2.66
Rot. Bonds6

About (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide

(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 93000172) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID93000172
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc([C@@H]2[C@H](S(=O)(=O)N[C@@H](C)c3ccccc3)CON2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(15-7-5-4-6-8-15)20-26(22,23)18-13-25-21(2)19(18)16-9-11-17(24-3)12-10-16/h4-12,14,18-20H,13H2,1-3H3/t14-,18+,19+/m0/s1
InChIKeyPSDCAYKENIPAAN-GDIGMMSISA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071143
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate
CID 42851195
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 42851157
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide
CID 101411108
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
CID 15946376

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide (CID 93000172) is (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide is COc1ccc([C@@H]2[C@H](S(=O)(=O)N[C@@H](C)c3ccccc3)CON2C)cc1.
What is the InChIKey of (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is PSDCAYKENIPAAN-GDIGMMSISA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(15-7-5-4-6-8-15)20-26(22,23)18-13-25-21(2)19(18)16-9-11-17(24-3)12-10-16/h4-12,14,18-20H,13H2,1-3H3/t14-,18+,19+/m0/s1.
What are the key properties of (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide?
(3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-methoxyphenyl)-2-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93000172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).