N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

C19H30ClN3O3S — CID 119591529

IUPACN-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S.ClH/c20-12-18(15-5-2-1-3-6-15)22-19(23)16-7-4-8-17(11-16)26(24,25)21-13-14-9-10-14;/h4,7-8,11,14-15,18,21H,1-3,5-6,9-10,12-13,20H2,(H,22,23);1H
InChIKeyBXXFGTICBJIJKJ-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.43
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119591529) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119591529
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S.ClH/c20-12-18(15-5-2-1-3-6-15)22-19(23)16-7-4-8-17(11-16)26(24,25)21-13-14-9-10-14;/h4,7-8,11,14-15,18,21H,1-3,5-6,9-10,12-13,20H2,(H,22,23);1H
InChIKeyBXXFGTICBJIJKJ-UHFFFAOYSA-N
XLogP2.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119612805
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
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CID 122153095
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (CID 119591529) is N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is Cl.NCC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is BXXFGTICBJIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c20-12-18(15-5-2-1-3-6-15)22-19(23)16-7-4-8-17(11-16)26(24,25)21-13-14-9-10-14;/h4,7-8,11,14-15,18,21H,1-3,5-6,9-10,12-13,20H2,(H,22,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119591529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).