3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide

C16H24N2O4S — CID 134058498

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-18(4)16(20)9-10-17-23(21,22)15-7-5-14(6-8-15)13(3)19/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQMUBXWNTUZRNLH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.67
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide (PubChem CID 134058498) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide
PubChem CID134058498
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-18(4)16(20)9-10-17-23(21,22)15-7-5-14(6-8-15)13(3)19/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQMUBXWNTUZRNLH-UHFFFAOYSA-N
XLogP1.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 154839888
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
(2S)-4-[(4-acetylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934017
3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789074
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 41259437
4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide (CID 134058498) is 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)C)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is QMUBXWNTUZRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)11-18(4)16(20)9-10-17-23(21,22)15-7-5-14(6-8-15)13(3)19/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134058498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).