N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide

C13H19NO4S — CID 17309469

IUPACN-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-4-6-12(7-5-10)19(16,17)9-13(15)14-11(2)8-18-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)
InChIKeyFSKATKZRVSDYTR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.92
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide

N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 17309469) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID17309469
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-4-6-12(7-5-10)19(16,17)9-13(15)14-11(2)8-18-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)
InChIKeyFSKATKZRVSDYTR-UHFFFAOYSA-N
XLogP0.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 47218635
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
N-[(2R)-1-methoxypropan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 95305472
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide
CID 94027547
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide (CID 17309469) is N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide is COCC(C)NC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is FSKATKZRVSDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-4-6-12(7-5-10)19(16,17)9-13(15)14-11(2)8-18-3/h4-7,11H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide?
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 17309469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).