1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide

C16H25N3O3S — CID 119304099

IUPAC1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(19-15(20)16(17)10-4-3-5-11-16)13-6-8-14(9-7-13)23(21,22)18-2/h6-9,12,18H,3-5,10-11,17H2,1-2H3,(H,19,20)
InChIKeyHMDAFSRYCZJSNC-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.43
Rot. Bonds5

About 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide

1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 119304099) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
PubChem CID119304099
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(19-15(20)16(17)10-4-3-5-11-16)13-6-8-14(9-7-13)23(21,22)18-2/h6-9,12,18H,3-5,10-11,17H2,1-2H3,(H,19,20)
InChIKeyHMDAFSRYCZJSNC-UHFFFAOYSA-N
XLogP1.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
1-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299101
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119304077
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide (CID 119304099) is 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide is CNS(=O)(=O)c1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is HMDAFSRYCZJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(19-15(20)16(17)10-4-3-5-11-16)13-6-8-14(9-7-13)23(21,22)18-2/h6-9,12,18H,3-5,10-11,17H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119304099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).