N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C21H22FN3O3S — CID 2295372

IUPACN-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-14-17(22)6-4-7-18(14)23-19(26)13-29-21-25-24-20(28-21)8-3-5-15-9-11-16(27-2)12-10-15/h4,6-7,9-12H,3,5,8,13H2,1-2H3,(H,23,26)
InChIKeyAUUWVLLYFXPKRU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.43
Rot. Bonds9

About N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2295372) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2295372
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-14-17(22)6-4-7-18(14)23-19(26)13-29-21-25-24-20(28-21)8-3-5-15-9-11-16(27-2)12-10-15/h4,6-7,9-12H,3,5,8,13H2,1-2H3,(H,23,26)
InChIKeyAUUWVLLYFXPKRU-UHFFFAOYSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 664980
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 646238
N-(2-Methoxy-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656273
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1071228
2-[(5-{[(4-Fluorophenyl)amino]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(methyloxy)phenyl]ethanone
CID 1164148
1-({[5-(4-Methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-phenylpiperazine
CID 1285137
N-(5-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2188688
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 2920510
2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-phenylacetamide
CID 3407446
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
CID 3998519

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2295372) is N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AUUWVLLYFXPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-14-17(22)6-4-7-18(14)23-19(26)13-29-21-25-24-20(28-21)8-3-5-15-9-11-16(27-2)12-10-15/h4,6-7,9-12H,3,5,8,13H2,1-2H3,(H,23,26).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2295372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).