N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H14N4O4S — CID 1160633

IUPACN-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H14N4O4S/c1-10(21)17-11-4-6-12(7-5-11)18-14(22)9-25-16-20-19-15(24-16)13-3-2-8-23-13/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyKEBQCIFPZASPEE-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.02
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1160633) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1160633
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H14N4O4S/c1-10(21)17-11-4-6-12(7-5-11)18-14(22)9-25-16-20-19-15(24-16)13-3-2-8-23-13/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyKEBQCIFPZASPEE-UHFFFAOYSA-N
XLogP3.02
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1160633) is N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KEBQCIFPZASPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-10(21)17-11-4-6-12(7-5-11)18-14(22)9-25-16-20-19-15(24-16)13-3-2-8-23-13/h2-8H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 358.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1160633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).