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

C17H27N3O3S — CID 119800489

IUPAC3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H27N3O3S/c1-2-3-11-24(22,23)20-16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)12-13/h7-10,13-14,20H,2-6,11-12,18H2,1H3,(H,19,21)
InChIKeyRHWBOSWTSIQBKX-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.68
Rot. Bonds7

About 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119800489) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119800489
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H27N3O3S/c1-2-3-11-24(22,23)20-16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)12-13/h7-10,13-14,20H,2-6,11-12,18H2,1H3,(H,19,21)
InChIKeyRHWBOSWTSIQBKX-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119800485
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119800484
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide (CID 119800489) is 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RHWBOSWTSIQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-3-11-24(22,23)20-16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)12-13/h7-10,13-14,20H,2-6,11-12,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).