N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide

C23H22F3N3O6S — CID 169308046

IUPACN-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccn(C)c(=O)c2C)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O6S/c1-4-34-19-13-15(27-21(30)18-10-11-29(3)22(31)14(18)2)8-9-20(19)36(32,33)28-16-6-5-7-17(12-16)35-23(24,25)26/h5-13,28H,4H2,1-3H3,(H,27,30)
InChIKeyOFBJUSXTPVTCNE-UHFFFAOYSA-N
MW525.51 g/mol
LogP4.04
Rot. Bonds8

About N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide

N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 169308046) has the molecular formula C23H22F3N3O6S and a molecular weight of 525.51 g/mol. Its IUPAC name is N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID169308046
Molecular FormulaC23H22F3N3O6S
Molecular Weight525.51 g/mol
Exact Mass525.12
IUPAC NameN-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccn(C)c(=O)c2C)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O6S/c1-4-34-19-13-15(27-21(30)18-10-11-29(3)22(31)14(18)2)8-9-20(19)36(32,33)28-16-6-5-7-17(12-16)35-23(24,25)26/h5-13,28H,4H2,1-3H3,(H,27,30)
InChIKeyOFBJUSXTPVTCNE-UHFFFAOYSA-N
XLogP4.04
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 169307922
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-methoxypyridin-1-ium-3-carboxamide
CID 170347072
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
(2S)-2-cyclopentyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169307931
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxycyclohexane-1-carboxamide
CID 169308033
N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide
CID 170347895
2-(4-bromophenyl)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308187

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide (CID 169308046) is N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide is CCOc1cc(NC(=O)c2ccn(C)c(=O)c2C)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is OFBJUSXTPVTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O6S/c1-4-34-19-13-15(27-21(30)18-10-11-29(3)22(31)14(18)2)8-9-20(19)36(32,33)28-16-6-5-7-17(12-16)35-23(24,25)26/h5-13,28H,4H2,1-3H3,(H,27,30).
What are the key properties of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 525.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 169308046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).