(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide

C16H26N2O7S — CID 93000621

IUPAC(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOCCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O7S/c1-18-15(14(10-25-18)26(19,20)17-6-7-21-2)11-8-12(22-3)16(24-5)13(9-11)23-4/h8-9,14-15,17H,6-7,10H2,1-5H3/t14-,15+/m1/s1
InChIKeyOUPIWCOROGSWMF-CABCVRRESA-N
MW390.46 g/mol
LogP0.56
Rot. Bonds9

About (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide

(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 93000621) has the molecular formula C16H26N2O7S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID93000621
Molecular FormulaC16H26N2O7S
Molecular Weight390.46 g/mol
Exact Mass390.15
IUPAC Name(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOCCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O7S/c1-18-15(14(10-25-18)26(19,20)17-6-7-21-2)11-8-12(22-3)16(24-5)13(9-11)23-4/h8-9,14-15,17H,6-7,10H2,1-5H3/t14-,15+/m1/s1
InChIKeyOUPIWCOROGSWMF-CABCVRRESA-N
XLogP0.56
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000624
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
(3S,4R)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 129421174
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 46043916
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42851273
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46043869
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (CID 93000621) is (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is COCCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is OUPIWCOROGSWMF-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N2O7S/c1-18-15(14(10-25-18)26(19,20)17-6-7-21-2)11-8-12(22-3)16(24-5)13(9-11)23-4/h8-9,14-15,17H,6-7,10H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93000621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).