N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride

C16H26ClN3O3S — CID 119260164

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H25N3O3S.ClH/c17-10-11-18-23(21,22)15-7-3-6-14(12-15)19-16(20)9-8-13-4-1-2-5-13;/h3,6-7,12-13,18H,1-2,4-5,8-11,17H2,(H,19,20);1H
InChIKeyWFNOOXHNQNYUFX-UHFFFAOYSA-N
MW375.92 g/mol
LogP2.25
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride (PubChem CID 119260164) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
PubChem CID119260164
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H25N3O3S.ClH/c17-10-11-18-23(21,22)15-7-3-6-14(12-15)19-16(20)9-8-13-4-1-2-5-13;/h3,6-7,12-13,18H,1-2,4-5,8-11,17H2,(H,19,20);1H
InChIKeyWFNOOXHNQNYUFX-UHFFFAOYSA-N
XLogP2.25
TPSA101.29 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 ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride (CID 119260164) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride?
The InChIKey is WFNOOXHNQNYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c17-10-11-18-23(21,22)15-7-3-6-14(12-15)19-16(20)9-8-13-4-1-2-5-13;/h3,6-7,12-13,18H,1-2,4-5,8-11,17H2,(H,19,20);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride is sourced from PubChem (CID 119260164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).