N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

C20H28ClN3O3S — CID 119640175

IUPACN-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-4-20(21,5-2)14-22-19(24)16-9-7-11-18(13-16)27(25,26)23-17-10-6-8-15(3)12-17;/h6-13,23H,4-5,14,21H2,1-3H3,(H,22,24);1H
InChIKeyOAHOHHYIUIHZSU-UHFFFAOYSA-N
MW425.98 g/mol
LogP3.46
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119640175) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119640175
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC NameN-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-4-20(21,5-2)14-22-19(24)16-9-7-11-18(13-16)27(25,26)23-17-10-6-8-15(3)12-17;/h6-13,23H,4-5,14,21H2,1-3H3,(H,22,24);1H
InChIKeyOAHOHHYIUIHZSU-UHFFFAOYSA-N
XLogP3.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
CID 119640724
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706772
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119640175) is N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is OAHOHHYIUIHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c1-4-20(21,5-2)14-22-19(24)16-9-7-11-18(13-16)27(25,26)23-17-10-6-8-15(3)12-17;/h6-13,23H,4-5,14,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119640175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).