N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride

C19H32ClN3O3S — CID 119475644

IUPACN-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)18-12-5-15(6-13-18)7-14-19(23)21-17-10-8-16(20)9-11-17;/h5-6,12-13,16-17H,3-4,7-11,14,20H2,1-2H3,(H,21,23);1H
InChIKeyWHBHCKQRHVXJTK-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.46
Rot. Bonds8

About N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119475644) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119475644
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)18-12-5-15(6-13-18)7-14-19(23)21-17-10-8-16(20)9-11-17;/h5-6,12-13,16-17H,3-4,7-11,14,20H2,1-2H3,(H,21,23);1H
InChIKeyWHBHCKQRHVXJTK-UHFFFAOYSA-N
XLogP2.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
4-[3-(4-ethylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120524617
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119475644) is N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is WHBHCKQRHVXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)18-12-5-15(6-13-18)7-14-19(23)21-17-10-8-16(20)9-11-17;/h5-6,12-13,16-17H,3-4,7-11,14,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119475644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).