3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride

C16H26ClN3O3S — CID 119429592

IUPAC3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-17-10-5-11-18-16(20)13-6-4-9-15(12-13)23(21,22)19-14-7-2-3-8-14;/h4,6,9,12,14,17,19H,2-3,5,7-8,10-11H2,1H3,(H,18,20);1H
InChIKeyAPDZOHXKCGEXAW-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.67
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride

3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119429592) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119429592
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-17-10-5-11-18-16(20)13-6-4-9-15(12-13)23(21,22)19-14-7-2-3-8-14;/h4,6,9,12,14,17,19H,2-3,5,7-8,10-11H2,1H3,(H,18,20);1H
InChIKeyAPDZOHXKCGEXAW-UHFFFAOYSA-N
XLogP1.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120946036

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119429592) is 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride is CNCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is APDZOHXKCGEXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-17-10-5-11-18-16(20)13-6-4-9-15(12-13)23(21,22)19-14-7-2-3-8-14;/h4,6,9,12,14,17,19H,2-3,5,7-8,10-11H2,1H3,(H,18,20);1H.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride?
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119429592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).