2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide

C18H22N2O3S — CID 46071276

IUPAC2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-20-18(16-10-6-3-7-11-16)17(14-23-20)24(21,22)19-13-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3
InChIKeyRTLXTZXLIMPAEG-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide

2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071276) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071276
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-20-18(16-10-6-3-7-11-16)17(14-23-20)24(21,22)19-13-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3
InChIKeyRTLXTZXLIMPAEG-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
(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-(furan-2-yl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869504
(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000491
2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071294
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
(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 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide (CID 46071276) is 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is RTLXTZXLIMPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20-18(16-10-6-3-7-11-16)17(14-23-20)24(21,22)19-13-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3.
What are the key properties of 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).