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

C17H27N3O3S — CID 119333210

IUPAC1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-2-3-13-24(22,23)20-15-9-7-14(8-10-15)19-16(21)17(18)11-5-4-6-12-17/h7-10,20H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyPPKIJGBHZPUBRR-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.83
Rot. Bonds7

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

1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119333210) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119333210
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-2-3-13-24(22,23)20-15-9-7-14(8-10-15)19-16(21)17(18)11-5-4-6-12-17/h7-10,20H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyPPKIJGBHZPUBRR-UHFFFAOYSA-N
XLogP2.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119333202
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide (CID 119333210) is 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is PPKIJGBHZPUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-3-13-24(22,23)20-15-9-7-14(8-10-15)19-16(21)17(18)11-5-4-6-12-17/h7-10,20H,2-6,11-13,18H2,1H3,(H,19,21).
What are the key properties of 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119333210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).