3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide

C19H24N2O4S — CID 46071321

IUPAC3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)NCc3cccc(C)c3)CON2C)c1
InChIInChI=1S/C19H24N2O4S/c1-14-6-4-7-15(10-14)12-20-26(22,23)18-13-25-21(2)19(18)16-8-5-9-17(11-16)24-3/h4-11,18-20H,12-13H2,1-3H3
InChIKeyMJVXRGVBIOLRQX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.41
Rot. Bonds6

About 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide

3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071321) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID46071321
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)NCc3cccc(C)c3)CON2C)c1
InChIInChI=1S/C19H24N2O4S/c1-14-6-4-7-15(10-14)12-20-26(22,23)18-13-25-21(2)19(18)16-8-5-9-17(11-16)24-3/h4-11,18-20H,12-13H2,1-3H3
InChIKeyMJVXRGVBIOLRQX-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide (CID 46071321) is 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide is COc1cccc(C2C(S(=O)(=O)NCc3cccc(C)c3)CON2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is MJVXRGVBIOLRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-6-4-7-15(10-14)12-20-26(22,23)18-13-25-21(2)19(18)16-8-5-9-17(11-16)24-3/h4-11,18-20H,12-13H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).