N-(3-methylbutyl)-2-propylsulfonylbenzamide

C15H23NO3S — CID 17224899

IUPACN-(3-methylbutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)C
InChIInChI=1S/C15H23NO3S/c1-4-11-20(18,19)14-8-6-5-7-13(14)15(17)16-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyNUVNJWUMNOMZLM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.65
Rot. Bonds7

About N-(3-methylbutyl)-2-propylsulfonylbenzamide

N-(3-methylbutyl)-2-propylsulfonylbenzamide (PubChem CID 17224899) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-propylsulfonylbenzamide
PubChem CID17224899
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-methylbutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)C
InChIInChI=1S/C15H23NO3S/c1-4-11-20(18,19)14-8-6-5-7-13(14)15(17)16-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyNUVNJWUMNOMZLM-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-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

Related Compounds

N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-(3-methylbutyl)-2-propylsulfonylbenzamide (CID 17224899) is N-(3-methylbutyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-(3-methylbutyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-propylsulfonylbenzamide?
The InChIKey is NUVNJWUMNOMZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-11-20(18,19)14-8-6-5-7-13(14)15(17)16-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-2-propylsulfonylbenzamide?
N-(3-methylbutyl)-2-propylsulfonylbenzamide has a molecular weight of 297.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).