N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide

C16H24N2O3S — CID 119523127

IUPACN-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
SMILESCC(C)(CN)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,11-17)18-15(19)12-7-9-14(10-8-12)22(20,21)13-5-3-4-6-13/h7-10,13H,3-6,11,17H2,1-2H3,(H,18,19)
InChIKeyZQKVODNWHMAWSZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.87
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide

N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide (PubChem CID 119523127) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
PubChem CID119523127
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
SMILESCC(C)(CN)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,11-17)18-15(19)12-7-9-14(10-8-12)22(20,21)13-5-3-4-6-13/h7-10,13H,3-6,11,17H2,1-2H3,(H,18,19)
InChIKeyZQKVODNWHMAWSZ-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
4-cycloheptylsulfonylbenzoic acid
CID 82925823
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide (CID 119523127) is N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide is CC(C)(CN)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide?
The InChIKey is ZQKVODNWHMAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,11-17)18-15(19)12-7-9-14(10-8-12)22(20,21)13-5-3-4-6-13/h7-10,13H,3-6,11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide has a molecular weight of 324.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide is sourced from PubChem (CID 119523127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).