1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide

C16H25N3O3S — CID 119298093

IUPAC1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1C
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)19-14-8-7-13(11-12(14)2)18-15(20)16(17)9-5-4-6-10-16/h7-8,11,19H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyDOBQBRQLXMSVSL-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.36
Rot. Bonds5

About 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide

1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide (PubChem CID 119298093) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
PubChem CID119298093
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1C
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)19-14-8-7-13(11-12(14)2)18-15(20)16(17)9-5-4-6-10-16/h7-8,11,19H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyDOBQBRQLXMSVSL-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119333210
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
CID 64891328
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119333202
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide (CID 119298093) is 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1C.
What is the InChIKey of 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide?
The InChIKey is DOBQBRQLXMSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-23(21,22)19-14-8-7-13(11-12(14)2)18-15(20)16(17)9-5-4-6-10-16/h7-8,11,19H,3-6,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119298093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).