N-(3-aminobutyl)-2-propylsulfonylbenzamide

C14H22N2O3S — CID 119498167

IUPACN-(3-aminobutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)N
InChIInChI=1S/C14H22N2O3S/c1-3-10-20(18,19)13-7-5-4-6-12(13)14(17)16-9-8-11(2)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyIHKYXZQBSMKBTE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds7

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

N-(3-aminobutyl)-2-propylsulfonylbenzamide (PubChem CID 119498167) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-propylsulfonylbenzamide
PubChem CID119498167
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-aminobutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)N
InChIInChI=1S/C14H22N2O3S/c1-3-10-20(18,19)13-7-5-4-6-12(13)14(17)16-9-8-11(2)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyIHKYXZQBSMKBTE-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2-propylsulfonylbenzamide (CID 119498167) is N-(3-aminobutyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2-propylsulfonylbenzamide?
The InChIKey is IHKYXZQBSMKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-10-20(18,19)13-7-5-4-6-12(13)14(17)16-9-8-11(2)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-2-propylsulfonylbenzamide?
N-(3-aminobutyl)-2-propylsulfonylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 119498167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).