4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide

C13H10ClF3N2OS — CID 118527645

IUPAC4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C13H10ClF3N2OS/c1-2-8-7(14)6-9(21-8)12(20)19-11-5-3-4-10(18-11)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyGPGGCGAIDWNTDZ-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.63
Rot. Bonds3

About 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide

4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 118527645) has the molecular formula C13H10ClF3N2OS and a molecular weight of 334.75 g/mol. Its IUPAC name is 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID118527645
Molecular FormulaC13H10ClF3N2OS
Molecular Weight334.75 g/mol
Exact Mass334.02
IUPAC Name4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C13H10ClF3N2OS/c1-2-8-7(14)6-9(21-8)12(20)19-11-5-3-4-10(18-11)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyGPGGCGAIDWNTDZ-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide (CID 118527645) is 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide is CCc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is GPGGCGAIDWNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2OS/c1-2-8-7(14)6-9(21-8)12(20)19-11-5-3-4-10(18-11)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 334.75 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 118527645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).