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

C14H13N3O2S3 — CID 7628588

IUPACN-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCCc1cccs1
InChIInChI=1S/C14H13N3O2S3/c18-12(15-6-5-10-3-1-7-20-10)9-22-14-17-16-13(19-14)11-4-2-8-21-11/h1-4,7-8H,5-6,9H2,(H,15,18)
InChIKeyHPCQMECJZLLEIN-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.31
Rot. Bonds7

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

N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7628588) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7628588
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC NameN-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCCc1cccs1
InChIInChI=1S/C14H13N3O2S3/c18-12(15-6-5-10-3-1-7-20-10)9-22-14-17-16-13(19-14)11-4-2-8-21-11/h1-4,7-8H,5-6,9H2,(H,15,18)
InChIKeyHPCQMECJZLLEIN-UHFFFAOYSA-N
XLogP3.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7628588) is N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)NCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HPCQMECJZLLEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S3/c18-12(15-6-5-10-3-1-7-20-10)9-22-14-17-16-13(19-14)11-4-2-8-21-11/h1-4,7-8H,5-6,9H2,(H,15,18).
What are the key properties of N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).