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

C15H10N4O2S2 — CID 2390774

IUPACN-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H10N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,20)
InChIKeyBIYVBNPOPVSCAJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.40
Rot. Bonds5

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

N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2390774) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2390774
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H10N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,20)
InChIKeyBIYVBNPOPVSCAJ-UHFFFAOYSA-N
XLogP3.40
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939
N-(2-cyanophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2443236
N-(3-cyanothiophen-2-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536549
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7957420
N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 47046708
N-(2,3,4,5,6-pentabromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4118714
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2413834
N-(2-cyanophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7559268
N-(3-cyanothiophen-2-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40671159
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
CID 154836572
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 166155687

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2390774) is N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BIYVBNPOPVSCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2390774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).