N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

C18H24ClN3O3S2 — CID 120598211

IUPACN-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-13-10-15(7-8-19-13)21-18(22)14-4-2-6-17(11-14)26(23,24)20-12-16-5-3-9-25-16;/h2-6,9,11,13,15,19-20H,7-8,10,12H2,1H3,(H,21,22);1H
InChIKeyAMQYNDLAKCQUBS-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.52
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 120598211) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID120598211
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-13-10-15(7-8-19-13)21-18(22)14-4-2-6-17(11-14)26(23,24)20-12-16-5-3-9-25-16;/h2-6,9,11,13,15,19-20H,7-8,10,12H2,1H3,(H,21,22);1H
InChIKeyAMQYNDLAKCQUBS-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 120602047
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 120598211) is N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is CC1CC(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is AMQYNDLAKCQUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-13-10-15(7-8-19-13)21-18(22)14-4-2-6-17(11-14)26(23,24)20-12-16-5-3-9-25-16;/h2-6,9,11,13,15,19-20H,7-8,10,12H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120598211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).