N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C16H28ClN3O3S — CID 119587994

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-11(2)8-14(10-17)18-16(20)13-6-5-7-15(9-13)23(21,22)19-12(3)4;/h5-7,9,11-12,14,19H,8,10,17H2,1-4H3,(H,18,20);1H
InChIKeyTXPSSBJJNYPAJW-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.90
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119587994) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119587994
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-11(2)8-14(10-17)18-16(20)13-6-5-7-15(9-13)23(21,22)19-12(3)4;/h5-7,9,11-12,14,19H,8,10,17H2,1-4H3,(H,18,20);1H
InChIKeyTXPSSBJJNYPAJW-UHFFFAOYSA-N
XLogP1.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(1-amino-4-methylpentan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119587562
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119588607
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(1-bromo-4-methylpentan-2-yl)-3-methylsulfonylbenzamide
CID 114311708
(2S,3S)-3-methyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119193995
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119587994) is N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is TXPSSBJJNYPAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-11(2)8-14(10-17)18-16(20)13-6-5-7-15(9-13)23(21,22)19-12(3)4;/h5-7,9,11-12,14,19H,8,10,17H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.90, 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-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119587994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).