2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C22H18N2O2S — CID 78889053

IUPAC2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCOc1cccc(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1
InChIInChI=1S/C22H18N2O2S/c1-26-20-9-5-10-21(15-20)27-16-22(25)24-19-8-4-6-17(14-19)11-12-18-7-2-3-13-23-18/h2-10,13-15H,16H2,1H3,(H,24,25)
InChIKeyOGMLJGQYNPJYFR-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 78889053) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
PubChem CID78889053
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCOc1cccc(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1
InChIInChI=1S/C22H18N2O2S/c1-26-20-9-5-10-21(15-20)27-16-22(25)24-19-8-4-6-17(14-19)11-12-18-7-2-3-13-23-18/h2-10,13-15H,16H2,1H3,(H,24,25)
InChIKeyOGMLJGQYNPJYFR-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
4-phenoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 134053013
2,4-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404262
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 18283760
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539395
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19630369
1-(3,5-dimethoxybenzoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55718668
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539689

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 78889053) is 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is COc1cccc(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The InChIKey is OGMLJGQYNPJYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-26-20-9-5-10-21(15-20)27-16-22(25)24-19-8-4-6-17(14-19)11-12-18-7-2-3-13-23-18/h2-10,13-15H,16H2,1H3,(H,24,25).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 78889053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).