N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

C18H30ClN3O3S — CID 119599772

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(2)10-18(3,12-19)21-17(22)15-5-4-6-16(9-15)25(23,24)20-11-14-7-8-14;/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3,(H,21,22);1H
InChIKeyUKTSPLPJLYJSOA-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.29
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119599772) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119599772
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(2)10-18(3,12-19)21-17(22)15-5-4-6-16(9-15)25(23,24)20-11-14-7-8-14;/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3,(H,21,22);1H
InChIKeyUKTSPLPJLYJSOA-UHFFFAOYSA-N
XLogP2.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 119597958
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (CID 119599772) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is UKTSPLPJLYJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-13(2)10-18(3,12-19)21-17(22)15-5-4-6-16(9-15)25(23,24)20-11-14-7-8-14;/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.29, 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)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119599772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).