N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C16H24N2O4S — CID 113136950

IUPACN-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-18(23(4,21)22)10-9-16(20)17-15-7-5-14(6-8-15)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyQLALYUBYXDVGKW-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.14
Rot. Bonds8

About N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136950) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136950
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-18(23(4,21)22)10-9-16(20)17-15-7-5-14(6-8-15)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyQLALYUBYXDVGKW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136934
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113141213
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136950) is N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(=O)c1ccc(NC(=O)CCN(CC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is QLALYUBYXDVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)11-18(23(4,21)22)10-9-16(20)17-15-7-5-14(6-8-15)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 340.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).