N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide

C15H20F3N3OS — CID 10154714

IUPACN-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCSNc1ncc(C(F)(F)F)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C15H20F3N3OS/c1-2-23-21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyCQAWFSDDKCMRKW-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.70
Rot. Bonds5

About N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide

N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 10154714) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID10154714
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC NameN-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCSNc1ncc(C(F)(F)F)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C15H20F3N3OS/c1-2-23-21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyCQAWFSDDKCMRKW-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid
CID 155470049
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
CID 10267859
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 172916327

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide (CID 10154714) is N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide is CCSNc1ncc(C(F)(F)F)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is CQAWFSDDKCMRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c1-2-23-21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide?
N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 10154714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).