N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide

C18H21NO3S — CID 52850935

IUPACN-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-4-13-23(21,22)17-8-6-5-7-16(17)18(20)19(3)15-11-9-14(2)10-12-15/h5-12H,4,13H2,1-3H3
InChIKeyAELNPQYGCUGYSN-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.46
Rot. Bonds5

About N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide

N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide (PubChem CID 52850935) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
PubChem CID52850935
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-4-13-23(21,22)17-8-6-5-7-16(17)18(20)19(3)15-11-9-14(2)10-12-15/h5-12H,4,13H2,1-3H3
InChIKeyAELNPQYGCUGYSN-UHFFFAOYSA-N
XLogP3.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide (CID 52850935) is N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(C)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide?
The InChIKey is AELNPQYGCUGYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-13-23(21,22)17-8-6-5-7-16(17)18(20)19(3)15-11-9-14(2)10-12-15/h5-12H,4,13H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide?
N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide has a molecular weight of 331.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 52850935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).