2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

C19H24FN3O3S — CID 90973678

IUPAC2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCCC1CC1S(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-5-12-9-16(12)27(25)22-18-15(26-4)10-17(24)23(3)19(18)21-14-7-6-11(2)8-13(14)20/h6-8,10,12,16,21-22H,5,9H2,1-4H3
InChIKeyUFKWJXWWFCORKU-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.46
Rot. Bonds7

About 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (PubChem CID 90973678) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
PubChem CID90973678
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCCC1CC1S(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-5-12-9-16(12)27(25)22-18-15(26-4)10-17(24)23(3)19(18)21-14-7-6-11(2)8-13(14)20/h6-8,10,12,16,21-22H,5,9H2,1-4H3
InChIKeyUFKWJXWWFCORKU-UHFFFAOYSA-N
XLogP3.46
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide with MolForge

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Related Compounds

N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]-1-[(2-oxo-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfinamide
CID 91472298
N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
CID 91111727
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 90856556
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)cyclopropane-1-sulfonamide
CID 68796586
2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91589872
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(3-hydroxyphenyl)cyclopropane-1-sulfinamide
CID 91355660
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 70828376
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-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833272
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfinamide
CID 90917302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The IUPAC name of 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (CID 90973678) is 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The canonical SMILES for 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is CCC1CC1S(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1F.
What is the InChIKey of 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The InChIKey is UFKWJXWWFCORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-5-12-9-16(12)27(25)22-18-15(26-4)10-17(24)23(3)19(18)21-14-7-6-11(2)8-13(14)20/h6-8,10,12,16,21-22H,5,9H2,1-4H3.
What are the key properties of 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide has a molecular weight of 393.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is sourced from PubChem (CID 90973678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).