N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H17N3O2S2 — CID 1490204

IUPACN-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccccc1
InChIInChI=1S/C18H17N3O2S2/c22-16(19-12-6-2-1-3-7-12)11-25-18-21-20-17(23-18)14-10-24-15-9-5-4-8-13(14)15/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,22)
InChIKeyGKKQFKDNACKZOK-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.41
Rot. Bonds5

About N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1490204) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1490204
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccccc1
InChIInChI=1S/C18H17N3O2S2/c22-16(19-12-6-2-1-3-7-12)11-25-18-21-20-17(23-18)14-10-24-15-9-5-4-8-13(14)15/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,22)
InChIKeyGKKQFKDNACKZOK-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1490204) is N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GKKQFKDNACKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c22-16(19-12-6-2-1-3-7-12)11-25-18-21-20-17(23-18)14-10-24-15-9-5-4-8-13(14)15/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,22).
What are the key properties of N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).