N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide

C17H29N3O3S — CID 119598442

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-10-24(22,23)20-15-8-6-14(7-9-15)16(21)19-17(4,12-18)11-13(2)3/h6-9,13,20H,5,10-12,18H2,1-4H3,(H,19,21)
InChIKeyWFQXPVZRORJPMF-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.33
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide (PubChem CID 119598442) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
PubChem CID119598442
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-10-24(22,23)20-15-8-6-14(7-9-15)16(21)19-17(4,12-18)11-13(2)3/h6-9,13,20H,5,10-12,18H2,1-4H3,(H,19,21)
InChIKeyWFQXPVZRORJPMF-UHFFFAOYSA-N
XLogP2.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
CID 43339119
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide (CID 119598442) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide?
The InChIKey is WFQXPVZRORJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-5-10-24(22,23)20-15-8-6-14(7-9-15)16(21)19-17(4,12-18)11-13(2)3/h6-9,13,20H,5,10-12,18H2,1-4H3,(H,19,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide has a molecular weight of 355.50 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide is sourced from PubChem (CID 119598442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).