N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride

C15H24ClN3O4S — CID 119586687

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)23(21,22)9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyKGYZTSAAXKSFDN-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.47
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride (PubChem CID 119586687) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
PubChem CID119586687
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)23(21,22)9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H
InChIKeyKGYZTSAAXKSFDN-UHFFFAOYSA-N
XLogP0.47
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
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CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119586018
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
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N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
CID 119587508
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
2-[4-(3-methylbutanoyl)phenyl]sulfonylacetamide
CID 82165261
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride (CID 119586687) is N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride?
The InChIKey is KGYZTSAAXKSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-10(2)7-12(8-16)18-15(20)11-3-5-13(6-4-11)23(21,22)9-14(17)19;/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,19)(H,18,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119586687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).