N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide

C19H23NO3S — CID 78781600

IUPACN-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-3-13-20(14-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)15-24(2,22)23/h4-12H,3,13-15H2,1-2H3
InChIKeyGEIKYSSAHGBGBB-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.28
Rot. Bonds7

About N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide

N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide (PubChem CID 78781600) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
PubChem CID78781600
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO3S/c1-3-13-20(14-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)15-24(2,22)23/h4-12H,3,13-15H2,1-2H3
InChIKeyGEIKYSSAHGBGBB-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide 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

2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide?
The IUPAC name of N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide (CID 78781600) is N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide?
The InChIKey is GEIKYSSAHGBGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-13-20(14-16-7-5-4-6-8-16)19(21)18-11-9-17(10-12-18)15-24(2,22)23/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide?
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide is sourced from PubChem (CID 78781600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).