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

C24H22ClFN4O5S2 — CID 94856949

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)NC(=O)C[C@H]1c1ccccc1F
InChIInChI=1S/C24H22ClFN4O5S2/c25-19-6-5-15(37(33,34)30-7-9-35-10-8-30)11-21(19)28-23(32)14-36-24-18(13-27)17(12-22(31)29-24)16-3-1-2-4-20(16)26/h1-6,11,17H,7-10,12,14H2,(H,28,32)(H,29,31)/t17-/m0/s1
InChIKeyGJBDFSYIQMLIAY-KRWDZBQOSA-N
MW565.05 g/mol
LogP3.21
Rot. Bonds7

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

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (PubChem CID 94856949) has the molecular formula C24H22ClFN4O5S2 and a molecular weight of 565.05 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
PubChem CID94856949
Molecular FormulaC24H22ClFN4O5S2
Molecular Weight565.05 g/mol
Exact Mass564.07
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)NC(=O)C[C@H]1c1ccccc1F
InChIInChI=1S/C24H22ClFN4O5S2/c25-19-6-5-15(37(33,34)30-7-9-35-10-8-30)11-21(19)28-23(32)14-36-24-18(13-27)17(12-22(31)29-24)16-3-1-2-4-20(16)26/h1-6,11,17H,7-10,12,14H2,(H,28,32)(H,29,31)/t17-/m0/s1
InChIKeyGJBDFSYIQMLIAY-KRWDZBQOSA-N
XLogP3.21
TPSA128.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.05
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 2941061
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 42498078
2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 126318687
N-(5-tert-butyl-2-methoxyphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 22331792
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
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
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 42118183
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
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 135454734
2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2951988
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 27195451
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (CID 94856949) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is N#CC1=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)NC(=O)C[C@H]1c1ccccc1F.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The InChIKey is GJBDFSYIQMLIAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22ClFN4O5S2/c25-19-6-5-15(37(33,34)30-7-9-35-10-8-30)11-21(19)28-23(32)14-36-24-18(13-27)17(12-22(31)29-24)16-3-1-2-4-20(16)26/h1-6,11,17H,7-10,12,14H2,(H,28,32)(H,29,31)/t17-/m0/s1.
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide has a molecular weight of 565.05 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 94856949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).