3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

C19H23NO3S — CID 133161748

IUPAC3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-5-18(15-8-10-17(11-9-15)24(4,22)23)20-19(21)16-7-6-13(2)14(3)12-16/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyMBKABAMHYLACDI-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.59
Rot. Bonds5

About 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (PubChem CID 133161748) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
PubChem CID133161748
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-5-18(15-8-10-17(11-9-15)24(4,22)23)20-19(21)16-7-6-13(2)14(3)12-16/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyMBKABAMHYLACDI-UHFFFAOYSA-N
XLogP3.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]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-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99949025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 132612837
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (CID 133161748) is 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The InChIKey is MBKABAMHYLACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-5-18(15-8-10-17(11-9-15)24(4,22)23)20-19(21)16-7-6-13(2)14(3)12-16/h6-12,18H,5H2,1-4H3,(H,20,21).
What are the key properties of 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide has a molecular weight of 345.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is sourced from PubChem (CID 133161748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).