2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide

C20H13F2N5O2S — CID 58816301

IUPAC2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2F)s1
InChIInChI=1S/C20H13F2N5O2S/c21-13-3-1-2-4-15(13)26-20(29)18-8-7-17(30-18)19(28)25-12-5-6-16(14(22)9-12)27-11-23-10-24-27/h1-11H,(H,25,28)(H,26,29)
InChIKeySILVIAOEAOYFDW-UHFFFAOYSA-N
MW425.42 g/mol
LogP4.11
Rot. Bonds5

About 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide

2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide (PubChem CID 58816301) has the molecular formula C20H13F2N5O2S and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
PubChem CID58816301
Molecular FormulaC20H13F2N5O2S
Molecular Weight425.42 g/mol
Exact Mass425.08
IUPAC Name2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2F)s1
InChIInChI=1S/C20H13F2N5O2S/c21-13-3-1-2-4-15(13)26-20(29)18-8-7-17(30-18)19(28)25-12-5-6-16(14(22)9-12)27-11-23-10-24-27/h1-11H,(H,25,28)(H,26,29)
InChIKeySILVIAOEAOYFDW-UHFFFAOYSA-N
XLogP4.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide (CID 58816301) is 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2F)s1.
What is the InChIKey of 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The InChIKey is SILVIAOEAOYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O2S/c21-13-3-1-2-4-15(13)26-20(29)18-8-7-17(30-18)19(28)25-12-5-6-16(14(22)9-12)27-11-23-10-24-27/h1-11H,(H,25,28)(H,26,29).
What are the key properties of 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide has a molecular weight of 425.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 58816301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).