N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide

C20H25N3O3S — CID 119602999

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H25N3O3S/c21-13-17-9-5-11-19(17)23-20(24)16-8-4-10-18(12-16)27(25,26)22-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,19,22H,5,9,11,13-14,21H2,(H,23,24)
InChIKeyWCQUMMZGSGLPGL-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide

N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide (PubChem CID 119602999) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
PubChem CID119602999
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H25N3O3S/c21-13-17-9-5-11-19(17)23-20(24)16-8-4-10-18(12-16)27(25,26)22-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,19,22H,5,9,11,13-14,21H2,(H,23,24)
InChIKeyWCQUMMZGSGLPGL-UHFFFAOYSA-N
XLogP2.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide (CID 119602999) is N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide is NCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The InChIKey is WCQUMMZGSGLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-13-17-9-5-11-19(17)23-20(24)16-8-4-10-18(12-16)27(25,26)22-14-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,19,22H,5,9,11,13-14,21H2,(H,23,24).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide is sourced from PubChem (CID 119602999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).