2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H15N3O3S — CID 2084474

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-7-13(17-20-9)16-14(19)8-21-12-5-3-11(4-6-12)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyMCQZBIQYNFIXRW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2084474) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2084474
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-7-13(17-20-9)16-14(19)8-21-12-5-3-11(4-6-12)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyMCQZBIQYNFIXRW-UHFFFAOYSA-N
XLogP2.67
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2084474) is 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MCQZBIQYNFIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-7-13(17-20-9)16-14(19)8-21-12-5-3-11(4-6-12)15-10(2)18/h3-7H,8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2084474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).