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

C26H18FN5O2S — CID 58816227

IUPAC5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C26H18FN5O2S/c27-20-14-18(10-11-22(20)32-16-28-15-29-32)30-25(33)23-12-13-24(35-23)26(34)31-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-16H,(H,30,33)(H,31,34)
InChIKeyRCOHFPQLOJSOPJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.64
Rot. Bonds6

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

5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide (PubChem CID 58816227) has the molecular formula C26H18FN5O2S and a molecular weight of 483.53 g/mol. Its IUPAC name is 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide
PubChem CID58816227
Molecular FormulaC26H18FN5O2S
Molecular Weight483.53 g/mol
Exact Mass483.12
IUPAC Name5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C26H18FN5O2S/c27-20-14-18(10-11-22(20)32-16-28-15-29-32)30-25(33)23-12-13-24(35-23)26(34)31-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-16H,(H,30,33)(H,31,34)
InChIKeyRCOHFPQLOJSOPJ-UHFFFAOYSA-N
XLogP5.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide (CID 58816227) is 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)s1.
What is the InChIKey of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide?
The InChIKey is RCOHFPQLOJSOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O2S/c27-20-14-18(10-11-22(20)32-16-28-15-29-32)30-25(33)23-12-13-24(35-23)26(34)31-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-16H,(H,30,33)(H,31,34).
What are the key properties of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide?
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 58816227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).