2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

C24H25F2N3O3S — CID 91589872

IUPAC2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCOc1ccc(C2CC2S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C24H25F2N3O3S/c1-13-5-8-20(19(26)9-13)27-23-21(10-14(2)24(30)29(23)3)28-33(31)22-12-17(22)16-7-6-15(32-4)11-18(16)25/h5-11,17,22,27-28H,12H2,1-4H3
InChIKeyLXURAFKZCFJNNE-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.66
Rot. Bonds7

About 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (PubChem CID 91589872) has the molecular formula C24H25F2N3O3S and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
PubChem CID91589872
Molecular FormulaC24H25F2N3O3S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCOc1ccc(C2CC2S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C24H25F2N3O3S/c1-13-5-8-20(19(26)9-13)27-23-21(10-14(2)24(30)29(23)3)28-33(31)22-12-17(22)16-7-6-15(32-4)11-18(16)25/h5-11,17,22,27-28H,12H2,1-4H3
InChIKeyLXURAFKZCFJNNE-UHFFFAOYSA-N
XLogP4.66
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfinamide
CID 90917302
2-(4-fluoro-2-hydroxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90940718
2-(2,4-difluorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 163948649
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(3-hydroxyphenyl)cyclopropane-1-sulfinamide
CID 91355660
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 90856556
1-butyl-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91522702
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 91478291
2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90973678
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68794811

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (CID 91589872) is 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is COc1ccc(C2CC2S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2F)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The InChIKey is LXURAFKZCFJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3S/c1-13-5-8-20(19(26)9-13)27-23-21(10-14(2)24(30)29(23)3)28-33(31)22-12-17(22)16-7-6-15(32-4)11-18(16)25/h5-11,17,22,27-28H,12H2,1-4H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide has a molecular weight of 473.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is sourced from PubChem (CID 91589872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).