3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C17H29ClN4O3S — CID 119689774

IUPAC3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-20(2)16-9-8-14(25(23,24)21(3)4)11-15(16)19-17(22)12-6-5-7-13(18)10-12;/h8-9,11-13H,5-7,10,18H2,1-4H3,(H,19,22);1H
InChIKeyMAZXHIDFHWYFLA-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119689774) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119689774
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC Name3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-20(2)16-9-8-14(25(23,24)21(3)4)11-15(16)19-17(22)12-6-5-7-13(18)10-12;/h8-9,11-13H,5-7,10,18H2,1-4H3,(H,19,22);1H
InChIKeyMAZXHIDFHWYFLA-UHFFFAOYSA-N
XLogP1.88
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 78796735
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CID 119692566
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
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CID 119689801
3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
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3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119793490
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide
CID 119782506

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119689774) is 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MAZXHIDFHWYFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-20(2)16-9-8-14(25(23,24)21(3)4)11-15(16)19-17(22)12-6-5-7-13(18)10-12;/h8-9,11-13H,5-7,10,18H2,1-4H3,(H,19,22);1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119689774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).