3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C19H30ClN3O3S — CID 120574596

IUPAC3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCNC2C)cc1S(=O)(=O)NC1CCCC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-9-10-15(19(23)21-17-8-5-11-20-14(17)2)12-18(13)26(24,25)22-16-6-3-4-7-16;/h9-10,12,14,16-17,20,22H,3-8,11H2,1-2H3,(H,21,23);1H
InChIKeyJEIQFXVKUCFPEY-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.51
Rot. Bonds5

About 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120574596) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120574596
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCNC2C)cc1S(=O)(=O)NC1CCCC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-9-10-15(19(23)21-17-8-5-11-20-14(17)2)12-18(13)26(24,25)22-16-6-3-4-7-16;/h9-10,12,14,16-17,20,22H,3-8,11H2,1-2H3,(H,21,23);1H
InChIKeyJEIQFXVKUCFPEY-UHFFFAOYSA-N
XLogP2.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120574596) is 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is Cc1ccc(C(=O)NC2CCCNC2C)cc1S(=O)(=O)NC1CCCC1.Cl.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is JEIQFXVKUCFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-13-9-10-15(19(23)21-17-8-5-11-20-14(17)2)12-18(13)26(24,25)22-16-6-3-4-7-16;/h9-10,12,14,16-17,20,22H,3-8,11H2,1-2H3,(H,21,23);1H.
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120574596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).