(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide

C19H22N2O4S — CID 100898283

IUPAC(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
SMILESC=CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-12-20-26(22,23)18-14-24-21(2)19(18)15-8-7-11-17(13-15)25-16-9-5-4-6-10-16/h3-11,13,18-20H,1,12,14H2,2H3/t18-,19-/m0/s1
InChIKeyLUBTUBZCRYTILE-OALUTQOASA-N
MW374.46 g/mol
LogP2.87
Rot. Bonds7

About (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide

(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 100898283) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
PubChem CID100898283
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
SMILESC=CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-12-20-26(22,23)18-14-24-21(2)19(18)15-8-7-11-17(13-15)25-16-9-5-4-6-10-16/h3-11,13,18-20H,1,12,14H2,2H3/t18-,19-/m0/s1
InChIKeyLUBTUBZCRYTILE-OALUTQOASA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043886
3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 42871342
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(3S,4R)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 129421174

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide (CID 100898283) is (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide is C=CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is LUBTUBZCRYTILE-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-12-20-26(22,23)18-14-24-21(2)19(18)15-8-7-11-17(13-15)25-16-9-5-4-6-10-16/h3-11,13,18-20H,1,12,14H2,2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide?
(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 100898283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).