2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide

C16H14N2O5S2 — CID 2053008

IUPAC2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(N)=O)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-4-6-11(7-5-10)25(20,21)15-16(24-9-13(17)19)23-14(18-15)12-3-2-8-22-12/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyQTDUZCWNKUSCAN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.65
Rot. Bonds6

About 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide

2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide (PubChem CID 2053008) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
PubChem CID2053008
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC Name2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(N)=O)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-4-6-11(7-5-10)25(20,21)15-16(24-9-13(17)19)23-14(18-15)12-3-2-8-22-12/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyQTDUZCWNKUSCAN-UHFFFAOYSA-N
XLogP2.65
TPSA116.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053030
N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2157203
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157225
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2068282
2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157069
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
CID 2157220
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18826346
N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826375
3-[3-(furan-2-yl)-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1,2,4-triazol-4-yl]propanamide
CID 39537798
4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157080
2-[[4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 91901875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide (CID 2053008) is 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide is Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(N)=O)cc1.
What is the InChIKey of 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
The InChIKey is QTDUZCWNKUSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c1-10-4-6-11(7-5-10)25(20,21)15-16(24-9-13(17)19)23-14(18-15)12-3-2-8-22-12/h2-8H,9H2,1H3,(H2,17,19).
What are the key properties of 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide?
2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 2053008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).