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

C14H18N2O4S2 — CID 20860604

IUPACN-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCOCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C14H18N2O4S2/c1-10-11(16-14(20-10)12-4-3-7-21-12)8-22(18)9-13(17)15-5-6-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyXPOQWIOMDSJWQD-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.72
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (PubChem CID 20860604) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
PubChem CID20860604
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC NameN-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCOCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C14H18N2O4S2/c1-10-11(16-14(20-10)12-4-3-7-21-12)8-22(18)9-13(17)15-5-6-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyXPOQWIOMDSJWQD-UHFFFAOYSA-N
XLogP1.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (CID 20860604) is N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is COCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The InChIKey is XPOQWIOMDSJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-10-11(16-14(20-10)12-4-3-7-21-12)8-22(18)9-13(17)15-5-6-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 20860604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).