9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide

C26H18N2O2S — CID 24620063

IUPAC9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C26H18N2O2S/c29-25-23-6-2-1-5-21(23)22-12-7-18(14-24(22)25)26(30)28-19-8-10-20(11-9-19)31-16-17-4-3-13-27-15-17/h1-15H,16H2,(H,28,30)
InChIKeyIQHYEDWGXFIKMG-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.84
Rot. Bonds5

About 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide

9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide (PubChem CID 24620063) has the molecular formula C26H18N2O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
PubChem CID24620063
Molecular FormulaC26H18N2O2S
Molecular Weight422.51 g/mol
Exact Mass422.11
IUPAC Name9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C26H18N2O2S/c29-25-23-6-2-1-5-21(23)22-12-7-18(14-24(22)25)26(30)28-19-8-10-20(11-9-19)31-16-17-4-3-13-27-15-17/h1-15H,16H2,(H,28,30)
InChIKeyIQHYEDWGXFIKMG-UHFFFAOYSA-N
XLogP5.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide?
The IUPAC name of 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide (CID 24620063) is 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide?
The canonical SMILES for 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide?
The InChIKey is IQHYEDWGXFIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2S/c29-25-23-6-2-1-5-21(23)22-12-7-18(14-24(22)25)26(30)28-19-8-10-20(11-9-19)31-16-17-4-3-13-27-15-17/h1-15H,16H2,(H,28,30).
What are the key properties of 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide?
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide is sourced from PubChem (CID 24620063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).