2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide

C12H17NO4S — CID 101096877

IUPAC2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCOC(C)(C)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)12(2,3)17-4/h5-8H,1-4H3,(H,13,14)
InChIKeyBNWLIKMMJBXSEM-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.22
Rot. Bonds4

About 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide

2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 101096877) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID101096877
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCOC(C)(C)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)12(2,3)17-4/h5-8H,1-4H3,(H,13,14)
InChIKeyBNWLIKMMJBXSEM-UHFFFAOYSA-N
XLogP1.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide (CID 101096877) is 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide is COC(C)(C)C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is BNWLIKMMJBXSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)12(2,3)17-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 271.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 101096877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).