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

C19H20N2O3S2 — CID 5308873

IUPACN-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)Cc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-7-15(8-6-13)10-20-18(22)12-26(23)11-16-14(2)24-19(21-16)17-4-3-9-25-17/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyIMJGABUCFZETQJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.59
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (PubChem CID 5308873) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
PubChem CID5308873
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)Cc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-7-15(8-6-13)10-20-18(22)12-26(23)11-16-14(2)24-19(21-16)17-4-3-9-25-17/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyIMJGABUCFZETQJ-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 N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (CID 5308873) is N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is Cc1ccc(CNC(=O)CS(=O)Cc2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The InChIKey is IMJGABUCFZETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13-5-7-15(8-6-13)10-20-18(22)12-26(23)11-16-14(2)24-19(21-16)17-4-3-9-25-17/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]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 N-[(4-methylphenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 5308873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).