2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C20H22N2O3S2 — CID 4174349

IUPAC2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCc3cccs3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O3S2/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-27-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyONSQVOYLSBFHEX-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.66
Rot. Bonds9

About 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4174349) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4174349
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCc3cccs3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O3S2/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-27-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyONSQVOYLSBFHEX-UHFFFAOYSA-N
XLogP4.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4174349) is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is CCOc1ccc(-c2nc(CSCC(=O)NCc3cccs3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ONSQVOYLSBFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-27-17/h4-10H,3,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4174349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).