3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide

C16H23F2N3O3S — CID 119782506

IUPAC3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H23F2N3O3S/c1-2-20-13-7-6-12(25(23,24)16(17)18)9-14(13)21-15(22)10-4-3-5-11(19)8-10/h6-7,9-11,16,20H,2-5,8,19H2,1H3,(H,21,22)
InChIKeyMKNHLEMWUBAJBM-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.57
Rot. Bonds6

About 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119782506) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119782506
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC Name3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H23F2N3O3S/c1-2-20-13-7-6-12(25(23,24)16(17)18)9-14(13)21-15(22)10-4-3-5-11(19)8-10/h6-7,9-11,16,20H,2-5,8,19H2,1H3,(H,21,22)
InChIKeyMKNHLEMWUBAJBM-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]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

3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689774
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119775811
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119692566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide (CID 119782506) is 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide is CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is MKNHLEMWUBAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-2-20-13-7-6-12(25(23,24)16(17)18)9-14(13)21-15(22)10-4-3-5-11(19)8-10/h6-7,9-11,16,20H,2-5,8,19H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(difluoromethylsulfonyl)-2-(ethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119782506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).