N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

C19H32ClN3O3S — CID 119590640

IUPACN-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)22(3)26(24,25)17-11-7-10-16(12-17)19(23)21-18(13-20)15-8-5-4-6-9-15;/h7,10-12,14-15,18H,4-6,8-9,13,20H2,1-3H3,(H,21,23);1H
InChIKeyKCFULTBTMOFIPX-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.77
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119590640) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID119590640
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)22(3)26(24,25)17-11-7-10-16(12-17)19(23)21-18(13-20)15-8-5-4-6-9-15;/h7,10-12,14-15,18H,4-6,8-9,13,20H2,1-3H3,(H,21,23);1H
InChIKeyKCFULTBTMOFIPX-UHFFFAOYSA-N
XLogP2.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119591997
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CID 119591529
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119612677
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119574152
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (CID 119590640) is N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is KCFULTBTMOFIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-14(2)22(3)26(24,25)17-11-7-10-16(12-17)19(23)21-18(13-20)15-8-5-4-6-9-15;/h7,10-12,14-15,18H,4-6,8-9,13,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119590640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).