2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide

C20H23N3O3S2 — CID 9144239

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-25-15-8-10-16(11-9-15)28-14-18(24)21-12-4-2-3-7-19-22-20(23-26-19)17-6-5-13-27-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24)
InChIKeyFVQPDFFKGQRHED-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.43
Rot. Bonds11

About 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide (PubChem CID 9144239) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
PubChem CID9144239
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-25-15-8-10-16(11-9-15)28-14-18(24)21-12-4-2-3-7-19-22-20(23-26-19)17-6-5-13-27-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24)
InChIKeyFVQPDFFKGQRHED-UHFFFAOYSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993
N-[2-oxo-2-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]ethyl]thiophene-2-carboxamide
CID 24550889
4-methyl-2-thiophen-2-yl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24517351
N-(4-phenoxybutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18120241
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
2-(1,3-benzothiazol-2-ylmethoxy)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24550878
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
CID 9144052
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
N-(2-methoxyethyl)-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 55432348
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
CID 24505024

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide (CID 9144239) is 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide is COc1ccc(SCC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The InChIKey is FVQPDFFKGQRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-25-15-8-10-16(11-9-15)28-14-18(24)21-12-4-2-3-7-19-22-20(23-26-19)17-6-5-13-27-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide is sourced from PubChem (CID 9144239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).