(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide

C21H26N2O5S — CID 98633724

IUPAC(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-23-21(16-7-5-10-18(13-16)28-17-8-3-2-4-9-17)20(15-27-23)29(24,25)22-14-19-11-6-12-26-19/h2-5,7-10,13,19-22H,6,11-12,14-15H2,1H3/t19-,20-,21-/m0/s1
InChIKeyWMVPPUYIGHGOGE-ACRUOGEOSA-N
MW418.52 g/mol
LogP2.86
Rot. Bonds7

About (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide

(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 98633724) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID98633724
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-23-21(16-7-5-10-18(13-16)28-17-8-3-2-4-9-17)20(15-27-23)29(24,25)22-14-19-11-6-12-26-19/h2-5,7-10,13,19-22H,6,11-12,14-15H2,1H3/t19-,20-,21-/m0/s1
InChIKeyWMVPPUYIGHGOGE-ACRUOGEOSA-N
XLogP2.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 46043903
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42851273
N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043886
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 42871342
dimethyl 1-(oxolan-2-ylmethyl)-4-(3-phenoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2906276
(4E)-4-[hydroxy(phenyl)methylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 6170199
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
(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-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide (CID 98633724) is (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide is CN1OC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is WMVPPUYIGHGOGE-ACRUOGEOSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-23-21(16-7-5-10-18(13-16)28-17-8-3-2-4-9-17)20(15-27-23)29(24,25)22-14-19-11-6-12-26-19/h2-5,7-10,13,19-22H,6,11-12,14-15H2,1H3/t19-,20-,21-/m0/s1.
What are the key properties of (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 98633724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).