5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C18H12F4N2OS — CID 95198544

IUPAC5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(-c2ccccc2F)s1)N(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C18H12F4N2OS/c19-13-6-2-1-5-12(13)14-8-9-15(26-14)17(25)24(11-18(20,21)22)16-7-3-4-10-23-16/h1-10H,11H2
InChIKeyBGCDTWQKHRHQOQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.16
Rot. Bonds4

About 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 95198544) has the molecular formula C18H12F4N2OS and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID95198544
Molecular FormulaC18H12F4N2OS
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(-c2ccccc2F)s1)N(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C18H12F4N2OS/c19-13-6-2-1-5-12(13)14-8-9-15(26-14)17(25)24(11-18(20,21)22)16-7-3-4-10-23-16/h1-10H,11H2
InChIKeyBGCDTWQKHRHQOQ-UHFFFAOYSA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 95198544) is 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(c1ccc(-c2ccccc2F)s1)N(CC(F)(F)F)c1ccccn1.
What is the InChIKey of 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is BGCDTWQKHRHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2OS/c19-13-6-2-1-5-12(13)14-8-9-15(26-14)17(25)24(11-18(20,21)22)16-7-3-4-10-23-16/h1-10H,11H2.
What are the key properties of 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 95198544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).