N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide

C20H26N2O5S — CID 46071193

IUPACN-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOCCNS(=O)(=O)C1CON(C)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H26N2O5S/c1-22-20(19(15-27-22)28(23,24)21-11-12-25-2)17-9-6-10-18(13-17)26-14-16-7-4-3-5-8-16/h3-10,13,19-21H,11-12,14-15H2,1-2H3
InChIKeyFWDXWRXBXYLUAF-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.12
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide

N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071193) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071193
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOCCNS(=O)(=O)C1CON(C)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H26N2O5S/c1-22-20(19(15-27-22)28(23,24)21-11-12-25-2)17-9-6-10-18(13-17)26-14-16-7-4-3-5-8-16/h3-10,13,19-21H,11-12,14-15H2,1-2H3
InChIKeyFWDXWRXBXYLUAF-UHFFFAOYSA-N
XLogP2.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (CID 46071193) is N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is COCCNS(=O)(=O)C1CON(C)C1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is FWDXWRXBXYLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-22-20(19(15-27-22)28(23,24)21-11-12-25-2)17-9-6-10-18(13-17)26-14-16-7-4-3-5-8-16/h3-10,13,19-21H,11-12,14-15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).