2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

C25H26ClN3O3S — CID 23609915

IUPAC2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H26ClN3O3S/c1-5-32-21-12-7-6-10-20(21)29-24(31)23-15(2)13-16(3)27-25(23)33-14-22(30)28-19-11-8-9-18(26)17(19)4/h6-13H,5,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyZCLVOKZKRSQFGT-UHFFFAOYSA-N
MW484.02 g/mol
LogP6.04
Rot. Bonds8

About 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 23609915) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID23609915
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC Name2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H26ClN3O3S/c1-5-32-21-12-7-6-10-20(21)29-24(31)23-15(2)13-16(3)27-25(23)33-14-22(30)28-19-11-8-9-18(26)17(19)4/h6-13H,5,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyZCLVOKZKRSQFGT-UHFFFAOYSA-N
XLogP6.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609909
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609826
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812
N-(2-ethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 23609915) is 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZCLVOKZKRSQFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-5-32-21-12-7-6-10-20(21)29-24(31)23-15(2)13-16(3)27-25(23)33-14-22(30)28-19-11-8-9-18(26)17(19)4/h6-13H,5,14H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 484.02 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 23609915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).