2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide

C22H17N3O2S — CID 34085382

IUPAC2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(19(15-7-3-1-4-8-15)16-9-5-2-6-10-16)23-18-13-11-17(12-14-18)21-24-25-22(28)27-21/h1-14,19H,(H,23,26)(H,25,28)
InChIKeyXETGRMOGNOAVNV-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.17
Rot. Bonds5

About 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide

2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 34085382) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID34085382
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(19(15-7-3-1-4-8-15)16-9-5-2-6-10-16)23-18-13-11-17(12-14-18)21-24-25-22(28)27-21/h1-14,19H,(H,23,26)(H,25,28)
InChIKeyXETGRMOGNOAVNV-UHFFFAOYSA-N
XLogP5.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide (CID 34085382) is 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide is O=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is XETGRMOGNOAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20(19(15-7-3-1-4-8-15)16-9-5-2-6-10-16)23-18-13-11-17(12-14-18)21-24-25-22(28)27-21/h1-14,19H,(H,23,26)(H,25,28).
What are the key properties of 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 34085382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).