2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide

C15H22N2O4S — CID 72628786

IUPAC2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
SMILESCCC(C)C(NC(C)=O)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-11(3)14(16-12(4)18)15(19)17-22(20,21)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,18)(H,17,19)
InChIKeySVVUREYUGQKBHW-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.35
Rot. Bonds6

About 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide

2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide (PubChem CID 72628786) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
PubChem CID72628786
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
SMILESCCC(C)C(NC(C)=O)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-11(3)14(16-12(4)18)15(19)17-22(20,21)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,18)(H,17,19)
InChIKeySVVUREYUGQKBHW-UHFFFAOYSA-N
XLogP1.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 100938187
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
CID 9452306
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide (CID 72628786) is 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide is CCC(C)C(NC(C)=O)C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide?
The InChIKey is SVVUREYUGQKBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-11(3)14(16-12(4)18)15(19)17-22(20,21)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide?
2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide has a molecular weight of 326.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide is sourced from PubChem (CID 72628786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).