N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride

C14H23ClN2O3S — CID 119629136

IUPACN-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-4-9-20(18,19)12-8-6-5-7-11(12)13(17)16-10-14(2,3)15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H
InChIKeyTVVDTSSQIQPWNM-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.76
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride (PubChem CID 119629136) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
PubChem CID119629136
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-4-9-20(18,19)12-8-6-5-7-11(12)13(17)16-10-14(2,3)15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H
InChIKeyTVVDTSSQIQPWNM-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride (CID 119629136) is N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride is CCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride?
The InChIKey is TVVDTSSQIQPWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-4-9-20(18,19)12-8-6-5-7-11(12)13(17)16-10-14(2,3)15;/h5-8H,4,9-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119629136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).