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

C15H15N3O2S4 — CID 8951232

IUPACN-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCCSCc1cccs1
InChIInChI=1S/C15H15N3O2S4/c19-13(16-5-8-21-9-11-3-1-6-22-11)10-24-15-18-17-14(20-15)12-4-2-7-23-12/h1-4,6-7H,5,8-10H2,(H,16,19)
InChIKeyGBIMUAVVZRTEEP-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.00
Rot. Bonds9

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

N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 8951232) has the molecular formula C15H15N3O2S4 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID8951232
Molecular FormulaC15H15N3O2S4
Molecular Weight397.57 g/mol
Exact Mass397.00
IUPAC NameN-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCCSCc1cccs1
InChIInChI=1S/C15H15N3O2S4/c19-13(16-5-8-21-9-11-3-1-6-22-11)10-24-15-18-17-14(20-15)12-4-2-7-23-12/h1-4,6-7H,5,8-10H2,(H,16,19)
InChIKeyGBIMUAVVZRTEEP-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
ethyl 4-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]butanoate
CID 2462772
N-[(2-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640266
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
(2R)-N-propyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 8582329
4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579
N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2592943
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 46858817
N-naphthalen-2-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981801

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 8951232) is N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)NCCSCc1cccs1.
What is the InChIKey of N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GBIMUAVVZRTEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S4/c19-13(16-5-8-21-9-11-3-1-6-22-11)10-24-15-18-17-14(20-15)12-4-2-7-23-12/h1-4,6-7H,5,8-10H2,(H,16,19).
What are the key properties of N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 397.57 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8951232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).