N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C17H13N3O2S2 — CID 47046708

IUPACN-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2S2/c18-8-13-6-7-24-17(13)20-15(21)11-23-10-14-9-22-16(19-14)12-4-2-1-3-5-12/h1-7,9H,10-11H2,(H,20,21)
InChIKeyZOEUTPZJGFHGDO-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.15
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 47046708) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID47046708
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2S2/c18-8-13-6-7-24-17(13)20-15(21)11-23-10-14-9-22-16(19-14)12-4-2-1-3-5-12/h1-7,9H,10-11H2,(H,20,21)
InChIKeyZOEUTPZJGFHGDO-UHFFFAOYSA-N
XLogP4.15
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 47046708) is N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is N#Cc1ccsc1NC(=O)CSCc1coc(-c2ccccc2)n1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is ZOEUTPZJGFHGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c18-8-13-6-7-24-17(13)20-15(21)11-23-10-14-9-22-16(19-14)12-4-2-1-3-5-12/h1-7,9H,10-11H2,(H,20,21).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 47046708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).