4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide

C24H25N3O2S — CID 23609750

IUPAC4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)NCCc2ccccc2)n1
InChIInChI=1S/C24H25N3O2S/c1-17-15-18(2)26-24(22(17)23(29)27-20-11-7-4-8-12-20)30-16-21(28)25-14-13-19-9-5-3-6-10-19/h3-12,15H,13-14,16H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyVXIHZVNQJJPETR-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.40
Rot. Bonds8

About 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide

4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 23609750) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID23609750
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)NCCc2ccccc2)n1
InChIInChI=1S/C24H25N3O2S/c1-17-15-18(2)26-24(22(17)23(29)27-20-11-7-4-8-12-20)30-16-21(28)25-14-13-19-9-5-3-6-10-19/h3-12,15H,13-14,16H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyVXIHZVNQJJPETR-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide
CID 40985933
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609826
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
2-amino-5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31752648
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 1173473
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 4134464

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide (CID 23609750) is 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)NCCc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is VXIHZVNQJJPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-15-18(2)26-24(22(17)23(29)27-20-11-7-4-8-12-20)30-16-21(28)25-14-13-19-9-5-3-6-10-19/h3-12,15H,13-14,16H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23609750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).