N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide

C18H13F3N2O2S — CID 2821405

IUPACN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-6-9-16(22-10-12)26-11-14-7-8-15(25-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24)
InChIKeyVHYRYYPEJKNRDC-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.24
Rot. Bonds5

About N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide

N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide (PubChem CID 2821405) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide
PubChem CID2821405
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-6-9-16(22-10-12)26-11-14-7-8-15(25-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24)
InChIKeyVHYRYYPEJKNRDC-UHFFFAOYSA-N
XLogP5.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide (CID 2821405) is N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide is O=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide?
The InChIKey is VHYRYYPEJKNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)12-6-9-16(22-10-12)26-11-14-7-8-15(25-14)17(24)23-13-4-2-1-3-5-13/h1-10H,11H2,(H,23,24).
What are the key properties of N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide?
N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 2821405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).