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

C12H17NO4S — CID 47347721

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

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

2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 47347721) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID47347721
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCOC(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)12(14)10(2)17-4/h5-8,10H,1-4H3
InChIKeyGWAXTTJRMWNOGT-UHFFFAOYSA-N
XLogP1.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide (CID 47347721) is 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide is COC(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GWAXTTJRMWNOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)12(14)10(2)17-4/h5-8,10H,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide?
2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 271.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 47347721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).