N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

C18H28ClN3O4S — CID 119601403

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O4S.ClH/c19-11-14-3-1-5-17(14)21-18(22)13-6-8-16(9-7-13)26(23,24)20-12-15-4-2-10-25-15;/h6-9,14-15,17,20H,1-5,10-12,19H2,(H,21,22);1H
InChIKeyFMGMSJKPXDMVPX-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.42
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119601403) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119601403
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H27N3O4S.ClH/c19-11-14-3-1-5-17(14)21-18(22)13-6-8-16(9-7-13)26(23,24)20-12-15-4-2-10-25-15;/h6-9,14-15,17,20H,1-5,10-12,19H2,(H,21,22);1H
InChIKeyFMGMSJKPXDMVPX-UHFFFAOYSA-N
XLogP1.42
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 119597958
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119601403) is N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is FMGMSJKPXDMVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c19-11-14-3-1-5-17(14)21-18(22)13-6-8-16(9-7-13)26(23,24)20-12-15-4-2-10-25-15;/h6-9,14-15,17,20H,1-5,10-12,19H2,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119601403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).