4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide

C15H22N2O4S — CID 132519381

IUPAC4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
SMILESCCC1COC(C)(C)N1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-12-10-21-15(3,4)17(12)14(18)16-22(19,20)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18)
InChIKeyFGUPYRFVHYGXFZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.24
Rot. Bonds3

About 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide

4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide (PubChem CID 132519381) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
PubChem CID132519381
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
SMILESCCC1COC(C)(C)N1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-12-10-21-15(3,4)17(12)14(18)16-22(19,20)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18)
InChIKeyFGUPYRFVHYGXFZ-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide (CID 132519381) is 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide is CCC1COC(C)(C)N1C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is FGUPYRFVHYGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-12-10-21-15(3,4)17(12)14(18)16-22(19,20)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide?
4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 132519381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).