N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride

C18H30ClN3O3S — CID 119591484

IUPACN-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-17(13-19)15-5-3-2-4-6-15;/h7-8,10-11,15,17,20H,2-6,9,12-13,19H2,1H3,(H,21,22);1H
InChIKeyRXTNTEHJHNYRON-UHFFFAOYSA-N
MW403.98 g/mol
LogP1.97
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119591484) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119591484
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-17(13-19)15-5-3-2-4-6-15;/h7-8,10-11,15,17,20H,2-6,9,12-13,19H2,1H3,(H,21,22);1H
InChIKeyRXTNTEHJHNYRON-UHFFFAOYSA-N
XLogP1.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
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N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
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N-(2-amino-1-cyclopropylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 119613531
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
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N-(2-amino-1-cyclohexylethyl)-4-(4-methylsulfonylphenoxy)butanamide;hydrochloride
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2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-[4-[(2-amino-1-cyclopentylethyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 120585027
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
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CID 51191477

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119591484) is N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride is CNS(=O)(=O)c1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is RXTNTEHJHNYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-20-25(23,24)16-10-7-14(8-11-16)9-12-18(22)21-17(13-19)15-5-3-2-4-6-15;/h7-8,10-11,15,17,20H,2-6,9,12-13,19H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 1.97, 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-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119591484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).