2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide

C23H23N3O3S — CID 23609729

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O3S/c1-15-13-16(2)24-23(21(15)22(28)25-17-9-5-4-6-10-17)30-14-20(27)26-18-11-7-8-12-19(18)29-3/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWNNMZPAQLSHBJR-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.69
Rot. Bonds7

About 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide (PubChem CID 23609729) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
PubChem CID23609729
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O3S/c1-15-13-16(2)24-23(21(15)22(28)25-17-9-5-4-6-10-17)30-14-20(27)26-18-11-7-8-12-19(18)29-3/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWNNMZPAQLSHBJR-UHFFFAOYSA-N
XLogP4.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
propan-2-yl 2-[[3-[(2-methoxyphenyl)carbamoyl]-4,6-dimethyl-2-pyridinyl]sulfanyl]acetate
CID 23609877
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-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609915
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
N-(3-chlorophenyl)-4,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609934
4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide
CID 40985933
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7558831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide (CID 23609729) is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide is COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is WNNMZPAQLSHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-13-16(2)24-23(21(15)22(28)25-17-9-5-4-6-10-17)30-14-20(27)26-18-11-7-8-12-19(18)29-3/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23609729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).