N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C25H27N3O3S — CID 23609909

IUPACN-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H27N3O3S/c1-5-31-21-12-7-6-11-20(21)28-24(30)23-17(3)14-18(4)26-25(23)32-15-22(29)27-19-10-8-9-16(2)13-19/h6-14H,5,15H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyUCSOLIOIUHFUJZ-UHFFFAOYSA-N
MW449.58 g/mol
LogP5.39
Rot. Bonds8

About N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide

N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 23609909) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID23609909
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H27N3O3S/c1-5-31-21-12-7-6-11-20(21)28-24(30)23-17(3)14-18(4)26-25(23)32-15-22(29)27-19-10-8-9-16(2)13-19/h6-14H,5,15H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyUCSOLIOIUHFUJZ-UHFFFAOYSA-N
XLogP5.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609915
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-chlorophenyl)-4,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609934
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
CID 23609877
N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906524
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 23609909) is N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is UCSOLIOIUHFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-5-31-21-12-7-6-11-20(21)28-24(30)23-17(3)14-18(4)26-25(23)32-15-22(29)27-19-10-8-9-16(2)13-19/h6-14H,5,15H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 23609909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).