N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

C27H20FN3O3S — CID 2942154

IUPACN-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)NC(=O)CC1c1ccccc1F
InChIInChI=1S/C27H20FN3O3S/c28-22-12-6-4-10-18(22)20-14-24(32)31-27(21(20)15-29)35-16-25(33)30-23-13-7-5-11-19(23)26(34)17-8-2-1-3-9-17/h1-13,20H,14,16H2,(H,30,33)(H,31,32)
InChIKeyVSNIPLOZMRCXRY-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.77
Rot. Bonds7

About N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (PubChem CID 2942154) has the molecular formula C27H20FN3O3S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
PubChem CID2942154
Molecular FormulaC27H20FN3O3S
Molecular Weight485.54 g/mol
Exact Mass485.12
IUPAC NameN-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)NC(=O)CC1c1ccccc1F
InChIInChI=1S/C27H20FN3O3S/c28-22-12-6-4-10-18(22)20-14-24(32)31-27(21(20)15-29)35-16-25(33)30-23-13-7-5-11-19(23)26(34)17-8-2-1-3-9-17/h1-13,20H,14,16H2,(H,30,33)(H,31,32)
InChIKeyVSNIPLOZMRCXRY-UHFFFAOYSA-N
XLogP4.77
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (CID 2942154) is N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is N#CC1=C(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)NC(=O)CC1c1ccccc1F.
What is the InChIKey of N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The InChIKey is VSNIPLOZMRCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O3S/c28-22-12-6-4-10-18(22)20-14-24(32)31-27(21(20)15-29)35-16-25(33)30-23-13-7-5-11-19(23)26(34)17-8-2-1-3-9-17/h1-13,20H,14,16H2,(H,30,33)(H,31,32).
What are the key properties of N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 2942154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).