5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide

C16H18F3N3OS — CID 55617719

IUPAC5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C16H18F3N3OS/c1-3-12-10(2)8-13(24-12)15(23)21-7-6-20-14-5-4-11(9-22-14)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyODUXEODHDLGAPE-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.87
Rot. Bonds6

About 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 55617719) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID55617719
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C16H18F3N3OS/c1-3-12-10(2)8-13(24-12)15(23)21-7-6-20-14-5-4-11(9-22-14)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyODUXEODHDLGAPE-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
3-(diethylsulfamoyl)-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55617740
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 55617594
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
2-(4-chloro-2-methylphenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]propanamide
CID 55617715
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46426611
3-nitro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423219
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
(5-ethyl-4-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 24630486

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide (CID 55617719) is 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is ODUXEODHDLGAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-3-12-10(2)8-13(24-12)15(23)21-7-6-20-14-5-4-11(9-22-14)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55617719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).