5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C17H12F3N3OS — CID 25127463

IUPAC5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-7-22-14(8-11)23-16-12(15(21)24)9-13(25-16)10-4-2-1-3-5-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyFNJZWQUSMGXAFB-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.67
Rot. Bonds4

About 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25127463) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25127463
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-7-22-14(8-11)23-16-12(15(21)24)9-13(25-16)10-4-2-1-3-5-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyFNJZWQUSMGXAFB-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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Related Compounds

5-phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127784
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
2-[(3S,4R)-3-phenyl-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]sulfonylbenzamide
CID 90405815
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide
CID 69464674
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25127463) is 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is FNJZWQUSMGXAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-7-22-14(8-11)23-16-12(15(21)24)9-13(25-16)10-4-2-1-3-5-10/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-phenyl-2-[[4-(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-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25127463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).