N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide

C16H19NO2S — CID 110787220

IUPACN-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-14-7-9-15(10-8-14)11-12-17-20(18,19)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyFJGSRVRKZCFQLQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 110787220) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID110787220
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-14-7-9-15(10-8-14)11-12-17-20(18,19)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyFJGSRVRKZCFQLQ-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide 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

1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 16890244
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
N-[2-(furan-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 90558389
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
CID 14152355
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide (CID 110787220) is N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide is Cc1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is FJGSRVRKZCFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-14-7-9-15(10-8-14)11-12-17-20(18,19)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110787220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).