5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C17H12F3N3OS — CID 25127784

IUPAC5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKRUHDWCIWRXWRL-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.67
Rot. Bonds4

About 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25127784) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25127784
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKRUHDWCIWRXWRL-UHFFFAOYSA-N
XLogP4.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25127784) is 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KRUHDWCIWRXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25127784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).