N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 120602047

IUPACN-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)11-19-24(22,23)16-6-4-14(5-7-16)17(21)20-15-8-9-18-13(3)10-15;/h4-7,12-13,15,18-19H,8-11H2,1-3H3,(H,20,21);1H
InChIKeyRGAROUHAQQSOPS-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.91
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride (PubChem CID 120602047) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
PubChem CID120602047
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)11-19-24(22,23)16-6-4-14(5-7-16)17(21)20-15-8-9-18-13(3)10-15;/h4-7,12-13,15,18-19H,8-11H2,1-3H3,(H,20,21);1H
InChIKeyRGAROUHAQQSOPS-UHFFFAOYSA-N
XLogP1.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
(2S,4S)-2-methyl-N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120640490
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120598211
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120602534
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601242

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride (CID 120602047) is N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride is CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The InChIKey is RGAROUHAQQSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12(2)11-19-24(22,23)16-6-4-14(5-7-16)17(21)20-15-8-9-18-13(3)10-15;/h4-7,12-13,15,18-19H,8-11H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120602047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).