4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide

C24H27FN4O3S — CID 144833254

IUPAC4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCSNc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(=O)NC)c1C
InChIInChI=1S/C24H27FN4O3S/c1-6-33-28-17-8-7-9-19(15(17)3)32-20-13-21(30)29(5)23(22(20)24(31)26-4)27-18-11-10-14(2)12-16(18)25/h7-13,27-28H,6H2,1-5H3,(H,26,31)
InChIKeyAWVVVYBKSJXQIT-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.12
Rot. Bonds8

About 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide

4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 144833254) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID144833254
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCSNc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(=O)NC)c1C
InChIInChI=1S/C24H27FN4O3S/c1-6-33-28-17-8-7-9-19(15(17)3)32-20-13-21(30)29(5)23(22(20)24(31)26-4)27-18-11-10-14(2)12-16(18)25/h7-13,27-28H,6H2,1-5H3,(H,26,31)
InChIKeyAWVVVYBKSJXQIT-UHFFFAOYSA-N
XLogP5.12
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
CID 144833298
2-(2-fluoro-4-iodoanilino)-4-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
2-(2-fluoro-4-methylanilino)-1-methyl-4-[(4-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833184
2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833272
3-[3-(ethylsulfanylamino)-2-methylphenoxy]-5-fluoro-1-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 89115090
4-[2-chloro-3-(methylaminosulfanylamino)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170602072
N-cyclopropyl-4-[2-cyclopropyl-3-(methylaminosulfanylamino)phenoxy]-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170602104
N-cyclopropyl-4-[2-cyclopropyl-3-(methylaminosulfanylamino)phenoxy]-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide;ethane
CID 170602103
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 154662807
2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90973678

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide (CID 144833254) is 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide is CCSNc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(=O)NC)c1C.
What is the InChIKey of 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is AWVVVYBKSJXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-6-33-28-17-8-7-9-19(15(17)3)32-20-13-21(30)29(5)23(22(20)24(31)26-4)27-18-11-10-14(2)12-16(18)25/h7-13,27-28H,6H2,1-5H3,(H,26,31).
What are the key properties of 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 144833254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).