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

C20H15ClFN3O2S — CID 126318687

IUPAC2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3O2S/c21-13-7-5-12(6-8-13)14-9-18(26)25-20(15(14)10-23)28-11-19(27)24-17-4-2-1-3-16(17)22/h1-8,14H,9,11H2,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyLQSABENUGJWDDX-AWEZNQCLSA-N
MW415.88 g/mol
LogP4.19
Rot. Bonds5

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

2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 126318687) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID126318687
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC Name2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3O2S/c21-13-7-5-12(6-8-13)14-9-18(26)25-20(15(14)10-23)28-11-19(27)24-17-4-2-1-3-16(17)22/h1-8,14H,9,11H2,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyLQSABENUGJWDDX-AWEZNQCLSA-N
XLogP4.19
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 126318687) is 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LQSABENUGJWDDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c21-13-7-5-12(6-8-13)14-9-18(26)25-20(15(14)10-23)28-11-19(27)24-17-4-2-1-3-16(17)22/h1-8,14H,9,11H2,(H,24,27)(H,25,26)/t14-/m0/s1.
What are the key properties of 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 415.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).