N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide

C18H29N3O3S — CID 119585530

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)10-16(12-19)20-18(22)14-6-5-9-17(11-14)25(23,24)21-15-7-3-4-8-15/h5-6,9,11,13,15-16,21H,3-4,7-8,10,12,19H2,1-2H3,(H,20,22)
InChIKeyOBKAPOYNLPQCGR-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.01
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide (PubChem CID 119585530) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
PubChem CID119585530
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)10-16(12-19)20-18(22)14-6-5-9-17(11-14)25(23,24)21-15-7-3-4-8-15/h5-6,9,11,13,15-16,21H,3-4,7-8,10,12,19H2,1-2H3,(H,20,22)
InChIKeyOBKAPOYNLPQCGR-UHFFFAOYSA-N
XLogP2.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
N-(1-amino-4-methylpentan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119587562

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide (CID 119585530) is N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide is CC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide?
The InChIKey is OBKAPOYNLPQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13(2)10-16(12-19)20-18(22)14-6-5-9-17(11-14)25(23,24)21-15-7-3-4-8-15/h5-6,9,11,13,15-16,21H,3-4,7-8,10,12,19H2,1-2H3,(H,20,22).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide?
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide has a molecular weight of 367.52 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide is sourced from PubChem (CID 119585530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).