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

C18H15N3O3S — CID 2080417

IUPAC2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-15(11-13-7-3-1-4-8-13)19-16(23)12-25-18-21-20-17(24-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,22,23)
InChIKeyPPWHOEDWJFDSNQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.71
Rot. Bonds6

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

2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide (PubChem CID 2080417) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide
PubChem CID2080417
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-15(11-13-7-3-1-4-8-13)19-16(23)12-25-18-21-20-17(24-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,22,23)
InChIKeyPPWHOEDWJFDSNQ-UHFFFAOYSA-N
XLogP2.71
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 800230
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CID 648780
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CID 859806
CID 859806
CID 861643
CID 861643
CID 861657
CID 861657
CID 865292
CID 865292
CID 1433144
CID 1433144
CID 2595598
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CID 7295015
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CID 7444376
CID 7444376

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide (CID 2080417) is 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide?
The InChIKey is PPWHOEDWJFDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-15(11-13-7-3-1-4-8-13)19-16(23)12-25-18-21-20-17(24-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,22,23).
What are the key properties of 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide?
2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]acetamide is sourced from PubChem (CID 2080417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).