2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

C18H17N3O3S — CID 30823439

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2cccc(-c3nnco3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-23-15-6-8-16(9-7-15)25-11-17(22)20-14-5-3-4-13(10-14)18-21-19-12-24-18/h3-10,12H,2,11H2,1H3,(H,20,22)
InChIKeyBHVKANDYMSTEGU-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 30823439) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID30823439
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2cccc(-c3nnco3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-23-15-6-8-16(9-7-15)25-11-17(22)20-14-5-3-4-13(10-14)18-21-19-12-24-18/h3-10,12H,2,11H2,1H3,(H,20,22)
InChIKeyBHVKANDYMSTEGU-UHFFFAOYSA-N
XLogP3.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71931594
2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55610898
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 4030936
N-(3-methylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 9354162
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 30823439) is 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is CCOc1ccc(SCC(=O)Nc2cccc(-c3nnco3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is BHVKANDYMSTEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-23-15-6-8-16(9-7-15)25-11-17(22)20-14-5-3-4-13(10-14)18-21-19-12-24-18/h3-10,12H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 30823439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).