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

C20H20FN3O4S — CID 4035892

IUPACN-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C20H20FN3O4S/c1-3-26-15-8-9-17(27-4-2)16(11-15)22-18(25)12-29-20-24-23-19(28-20)13-6-5-7-14(21)10-13/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyJXZKUTUUPQLRCJ-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.40
Rot. Bonds9

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

N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4035892) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4035892
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC NameN-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C20H20FN3O4S/c1-3-26-15-8-9-17(27-4-2)16(11-15)22-18(25)12-29-20-24-23-19(28-20)13-6-5-7-14(21)10-13/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyJXZKUTUUPQLRCJ-UHFFFAOYSA-N
XLogP4.40
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 4242949
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 4238527
N-(2-chloro-4-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3443476
N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3956986
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9458811
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3385104
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 3301651
N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3895144
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4035892) is N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JXZKUTUUPQLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-3-26-15-8-9-17(27-4-2)16(11-15)22-18(25)12-29-20-24-23-19(28-20)13-6-5-7-14(21)10-13/h5-11H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 417.46 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4035892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).