2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C22H22N2O2S — CID 55465757

IUPAC2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-2-17-5-9-20(10-6-17)26-15-22(25)24-19-7-11-21(12-8-19)27-16-18-4-3-13-23-14-18/h3-14H,2,15-16H2,1H3,(H,24,25)
InChIKeyBNRMPFXVQOEUSG-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.95
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 55465757) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID55465757
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-2-17-5-9-20(10-6-17)26-15-22(25)24-19-7-11-21(12-8-19)27-16-18-4-3-13-23-14-18/h3-14H,2,15-16H2,1H3,(H,24,25)
InChIKeyBNRMPFXVQOEUSG-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 55465757) is 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is BNRMPFXVQOEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-2-17-5-9-20(10-6-17)26-15-22(25)24-19-7-11-21(12-8-19)27-16-18-4-3-13-23-14-18/h3-14H,2,15-16H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 55465757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).