N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide

C20H25N3O3S — CID 119566712

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
SMILESNCC1(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCC1
InChIInChI=1S/C20H25N3O3S/c21-15-20(11-4-5-12-20)23-19(24)17-9-6-10-18(13-17)27(25,26)22-14-16-7-2-1-3-8-16/h1-3,6-10,13,22H,4-5,11-12,14-15,21H2,(H,23,24)
InChIKeyGQCGTWBFPIVXSB-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.17
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide

N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide (PubChem CID 119566712) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
PubChem CID119566712
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
SMILESNCC1(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCC1
InChIInChI=1S/C20H25N3O3S/c21-15-20(11-4-5-12-20)23-19(24)17-9-6-10-18(13-17)27(25,26)22-14-16-7-2-1-3-8-16/h1-3,6-10,13,22H,4-5,11-12,14-15,21H2,(H,23,24)
InChIKeyGQCGTWBFPIVXSB-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
cyclohexylmethyl 3-(benzylsulfamoyl)benzoate
CID 7666483
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide (CID 119566712) is N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide is NCC1(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
The InChIKey is GQCGTWBFPIVXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-15-20(11-4-5-12-20)23-19(24)17-9-6-10-18(13-17)27(25,26)22-14-16-7-2-1-3-8-16/h1-3,6-10,13,22H,4-5,11-12,14-15,21H2,(H,23,24).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide?
N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide is sourced from PubChem (CID 119566712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).