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

C21H24FN3O6S — CID 91472298

IUPACN-[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
SMILESCOc1cc(=O)n(C)c(Nc2ccc(C)cc2F)c1NS(=O)C1(CC2COC(=O)O2)CC1
InChIInChI=1S/C21H24FN3O6S/c1-12-4-5-15(14(22)8-12)23-19-18(16(29-3)9-17(26)25(19)2)24-32(28)21(6-7-21)10-13-11-30-20(27)31-13/h4-5,8-9,13,23-24H,6-7,10-11H2,1-3H3
InChIKeyXWKZOIXALZIYDC-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.12
Rot. Bonds8

About 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

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 (PubChem CID 91472298) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91472298
Molecular FormulaC21H24FN3O6S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC NameN-[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
SMILESCOc1cc(=O)n(C)c(Nc2ccc(C)cc2F)c1NS(=O)C1(CC2COC(=O)O2)CC1
InChIInChI=1S/C21H24FN3O6S/c1-12-4-5-15(14(22)8-12)23-19-18(16(29-3)9-17(26)25(19)2)24-32(28)21(6-7-21)10-13-11-30-20(27)31-13/h4-5,8-9,13,23-24H,6-7,10-11H2,1-3H3
InChIKeyXWKZOIXALZIYDC-UHFFFAOYSA-N
XLogP3.12
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90973678
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-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
CID 91111727
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-hexylcyclopropane-1-sulfinamide
CID 143758011
1-butyl-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91522702
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)cyclopropane-1-sulfonamide
CID 68796586
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129
2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91589872
3-[1-[3-fluoro-2-(2-fluoro-4-methylanilino)-6-methoxy-4-phosphanylanilino]cyclopropyl]propan-1-ol;formaldehyde;methanol
CID 143879970
N-[2-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
CID 91292035
ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
CID 144833298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(=O)n(C)c(Nc2ccc(C)cc2F)c1NS(=O)C1(CC2COC(=O)O2)CC1.
What is the InChIKey of 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?
The InChIKey is XWKZOIXALZIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O6S/c1-12-4-5-15(14(22)8-12)23-19-18(16(29-3)9-17(26)25(19)2)24-32(28)21(6-7-21)10-13-11-30-20(27)31-13/h4-5,8-9,13,23-24H,6-7,10-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 465.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91472298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).