N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide

C19H22N2O4S — CID 113138717

IUPACN-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-9-6-10-18(13-17)20-19(23)11-12-21(26(2,24)25)14-16-7-4-3-5-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,23)
InChIKeyOPVIBAOBZMDDAH-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.68
Rot. Bonds8

About N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide

N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide (PubChem CID 113138717) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
PubChem CID113138717
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-9-6-10-18(13-17)20-19(23)11-12-21(26(2,24)25)14-16-7-4-3-5-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,23)
InChIKeyOPVIBAOBZMDDAH-UHFFFAOYSA-N
XLogP2.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide (CID 113138717) is N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide is CC(=O)c1cccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide?
The InChIKey is OPVIBAOBZMDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(22)17-9-6-10-18(13-17)20-19(23)11-12-21(26(2,24)25)14-16-7-4-3-5-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide?
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide has a molecular weight of 374.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113138717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).