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

C21H16ClFN4O3S2 — CID 24760302

IUPAC5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCS(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1
InChIInChI=1S/C21H16ClFN4O3S2/c1-32(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)
InChIKeyXFBPCRNSWNKJIT-UHFFFAOYSA-N
MW490.97 g/mol
LogP3.54
Rot. Bonds6

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-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 24760302) has the molecular formula C21H16ClFN4O3S2 and a molecular weight of 490.97 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.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID24760302
Molecular FormulaC21H16ClFN4O3S2
Molecular Weight490.97 g/mol
Exact Mass490.03
IUPAC Name5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCS(=O)c1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(-n2cc(F)ccc2=O)cc1
InChIInChI=1S/C21H16ClFN4O3S2/c1-32(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)
InChIKeyXFBPCRNSWNKJIT-UHFFFAOYSA-N
XLogP3.54
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
N-[[1-[2-acetamido-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 24999600
N-[[3-[4-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 143722952
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(4-propan-2-ylpiperazin-1-yl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24990941
5-chloro-N-[[1-[3-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 59260077
5-chloro-N-[[1-[2-(methylcarbamoyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24997758
5-chloro-N-[[1-[4-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 91349606
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
5-chloro-N-[[1-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-pyridin-4-ylimidazol-4-yl]methyl]thiophene-2-carboxamide
CID 59672119
N-[[1-[2-carbamoyl-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849086

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?
The IUPAC name of 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide (CID 24760302) is 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-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?
The canonical SMILES for 5-chloro-N-[[1-[4-(5-fluoro-2-oxo-1-pyridinyl)phenyl]-2-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide is 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?
The InChIKey is XFBPCRNSWNKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O3S2/c1-32(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).
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-methylsulfinylimidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 24760302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).