5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide

C42H32Cl2F2N8O7S4 — CID 158213734

IUPAC5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1.CS(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1
InChIInChI=1S/C21H16ClFN4O4S2.C21H16ClFN4O3S2/c1-33(30,31)21-25-14(10-24-20(29)17-7-8-18(22)32-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28;1-32(30)21-25-14(10-24-20(29)17-7-8-18(22)31-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28/h2-9,11-12H,10H2,1H3,(H,24,29);2-9,11-12H,10H2,1H3,(H,24,29)
InChIKeyGCJQORAWBLGVHV-UHFFFAOYSA-N
MW997.94 g/mol
LogP6.76
Rot. Bonds12

About 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 158213734) has the molecular formula C42H32Cl2F2N8O7S4 and a molecular weight of 997.94 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID158213734
Molecular FormulaC42H32Cl2F2N8O7S4
Molecular Weight997.94 g/mol
Exact Mass996.06
IUPAC Name5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1.CS(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1
InChIInChI=1S/C21H16ClFN4O4S2.C21H16ClFN4O3S2/c1-33(30,31)21-25-14(10-24-20(29)17-7-8-18(22)32-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28;1-32(30)21-25-14(10-24-20(29)17-7-8-18(22)31-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28/h2-9,11-12H,10H2,1H3,(H,24,29);2-9,11-12H,10H2,1H3,(H,24,29)
InChIKeyGCJQORAWBLGVHV-UHFFFAOYSA-N
XLogP6.76
TPSA189.05 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.94
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide (CID 158213734) is 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide is CS(=O)(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1.CS(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GCJQORAWBLGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O4S2.C21H16ClFN4O3S2/c1-33(30,31)21-25-14(10-24-20(29)17-7-8-18(22)32-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28;1-32(30)21-25-14(10-24-20(29)17-7-8-18(22)31-17)12-27(21)16-5-3-15(4-6-16)26-11-13(23)2-9-19(26)28/h2-9,11-12H,10H2,1H3,(H,24,29);2-9,11-12H,10H2,1H3,(H,24,29).
What are the key properties of 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 997.94 g/mol, XLogP of 6.76, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfonylimidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 158213734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).