3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C16H26ClN3O4S — CID 119501094

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-17-9-10-18-16(20)12-7-8-14(23-2)15(11-12)24(21,22)19-13-5-3-4-6-13;/h7-8,11,13,17,19H,3-6,9-10H2,1-2H3,(H,18,20);1H
InChIKeyPRFSLROGHUGSPQ-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.29
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride

3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119501094) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119501094
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-17-9-10-18-16(20)12-7-8-14(23-2)15(11-12)24(21,22)19-13-5-3-4-6-13;/h7-8,11,13,17,19H,3-6,9-10H2,1-2H3,(H,18,20);1H
InChIKeyPRFSLROGHUGSPQ-UHFFFAOYSA-N
XLogP1.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
CID 56558795
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119501094) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is PRFSLROGHUGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-17-9-10-18-16(20)12-7-8-14(23-2)15(11-12)24(21,22)19-13-5-3-4-6-13;/h7-8,11,13,17,19H,3-6,9-10H2,1-2H3,(H,18,20);1H.
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119501094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).