2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C25H25N3O4S — CID 1201823

IUPAC2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)ccc2C#N)cc1
InChIInChI=1S/C25H25N3O4S/c1-30-20-8-4-17(5-9-20)12-13-27-24(29)16-33-25-19(15-26)6-10-21(28-25)18-7-11-22(31-2)23(14-18)32-3/h4-11,14H,12-13,16H2,1-3H3,(H,27,29)
InChIKeyJKILBFWBXCIJCD-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.10
Rot. Bonds10

About 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 1201823) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID1201823
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)ccc2C#N)cc1
InChIInChI=1S/C25H25N3O4S/c1-30-20-8-4-17(5-9-20)12-13-27-24(29)16-33-25-19(15-26)6-10-21(28-25)18-7-11-22(31-2)23(14-18)32-3/h4-11,14H,12-13,16H2,1-3H3,(H,27,29)
InChIKeyJKILBFWBXCIJCD-UHFFFAOYSA-N
XLogP4.10
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 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

{[3-Cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetic acid
CID 1047171
N1-(3,4-dimethoxyphenethyl)-2-phenyl-2-(2-pyridylthio)acetamide
CID 433517
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
CID 664621
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1239697
6,7-Dimethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 1450753
2-((3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide
CID 3725176
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
CID 660388
2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
CID 1002458
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
CID 1004339
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 1004498
N-benzyl-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide
CID 1004501
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1023309

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 1201823) is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)ccc2C#N)cc1.
What is the InChIKey of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JKILBFWBXCIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-30-20-8-4-17(5-9-20)12-13-27-24(29)16-33-25-19(15-26)6-10-21(28-25)18-7-11-22(31-2)23(14-18)32-3/h4-11,14H,12-13,16H2,1-3H3,(H,27,29).
What are the key properties of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 1201823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).