2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C19H20N4O5S3 — CID 4844409

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1
InChIInChI=1S/C19H20N4O5S3/c1-27-15-6-4-14(5-7-15)18-20-21-19(28-18)30-13-16(24)22-8-10-23(11-9-22)31(25,26)17-3-2-12-29-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZSJMOENPFMDEPD-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.43
Rot. Bonds7

About 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 4844409) has the molecular formula C19H20N4O5S3 and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID4844409
Molecular FormulaC19H20N4O5S3
Molecular Weight480.59 g/mol
Exact Mass480.06
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1
InChIInChI=1S/C19H20N4O5S3/c1-27-15-6-4-14(5-7-15)18-20-21-19(28-18)30-13-16(24)22-8-10-23(11-9-22)31(25,26)17-3-2-12-29-17/h2-7,12H,8-11,13H2,1H3
InChIKeyZSJMOENPFMDEPD-UHFFFAOYSA-N
XLogP2.43
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 860263
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38030923
2-[[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 171475943
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 46552672
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2570232
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 866855
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 654962
1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 5238841
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1173003
methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 7981721
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4027158

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 4844409) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is COc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ZSJMOENPFMDEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S3/c1-27-15-6-4-14(5-7-15)18-20-21-19(28-18)30-13-16(24)22-8-10-23(11-9-22)31(25,26)17-3-2-12-29-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 480.59 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4844409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).