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

C19H20N2O3S2 — CID 6622165

IUPAC2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCc3cccs3)c(C)o2)c1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-3-6-15(9-13)19-21-17(14(2)24-19)11-26(23)12-18(22)20-10-16-7-4-8-25-16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyPRRWSFYIOBECJR-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.59
Rot. Bonds7

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

2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 6622165) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID6622165
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCc3cccs3)c(C)o2)c1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-3-6-15(9-13)19-21-17(14(2)24-19)11-26(23)12-18(22)20-10-16-7-4-8-25-16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyPRRWSFYIOBECJR-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 6622165) is 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cccc(-c2nc(CS(=O)CC(=O)NCc3cccs3)c(C)o2)c1.
What is the InChIKey of 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PRRWSFYIOBECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13-5-3-6-15(9-13)19-21-17(14(2)24-19)11-26(23)12-18(22)20-10-16-7-4-8-25-16/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 6622165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).