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

C18H13Cl2N3O2S2 — CID 126138881

IUPAC2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccs1
InChIInChI=1S/C18H13Cl2N3O2S2/c19-10-3-4-14(13(20)6-10)22-17(25)9-27-18-12(8-21)11(7-16(24)23-18)15-2-1-5-26-15/h1-6,11H,7,9H2,(H,22,25)(H,23,24)/t11-/m0/s1
InChIKeyKFEUBUXZRNZUKK-NSHDSACASA-N
MW438.36 g/mol
LogP4.77
Rot. Bonds5

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

2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 126138881) has the molecular formula C18H13Cl2N3O2S2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID126138881
Molecular FormulaC18H13Cl2N3O2S2
Molecular Weight438.36 g/mol
Exact Mass436.98
IUPAC Name2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccs1
InChIInChI=1S/C18H13Cl2N3O2S2/c19-10-3-4-14(13(20)6-10)22-17(25)9-27-18-12(8-21)11(7-16(24)23-18)15-2-1-5-26-15/h1-6,11H,7,9H2,(H,22,25)(H,23,24)/t11-/m0/s1
InChIKeyKFEUBUXZRNZUKK-NSHDSACASA-N
XLogP4.77
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 126141786
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 126154747
N-benzyl-2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 126132360
N-benzyl-2-[[(4R)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 126132375
N-(4-bromo-2-chlorophenyl)-2-[[(4R)-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 988803
6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 2909923
2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 126318687
N-(4-bromo-2-methylphenyl)-2-[[(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 126321663
2-[[(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126330638
(4R)-6-benzylsulfanyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 126137791
N-(2-chlorophenyl)-2-[[(4S)-5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 41473713
2-[[(4S)-4-(3-chloro-4-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 126317281

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide (CID 126138881) is 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide is N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccs1.
What is the InChIKey of 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is KFEUBUXZRNZUKK-NSHDSACASA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S2/c19-10-3-4-14(13(20)6-10)22-17(25)9-27-18-12(8-21)11(7-16(24)23-18)15-2-1-5-26-15/h1-6,11H,7,9H2,(H,22,25)(H,23,24)/t11-/m0/s1.
What are the key properties of 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 438.36 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 126138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).