N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H19NO3S — CID 75870184

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-9-11-16(12-10-14)22(3,20)21)18(2)17(19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyXHXJGMVSMCUABE-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.92
Rot. Bonds4

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 75870184) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID75870184
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-9-11-16(12-10-14)22(3,20)21)18(2)17(19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyXHXJGMVSMCUABE-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide 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

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55911974
N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55567017
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 75870184) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is XHXJGMVSMCUABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(14-9-11-16(12-10-14)22(3,20)21)18(2)17(19)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 75870184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).