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

C17H16N4O2S — CID 2981823

IUPACN-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-2-21(14-6-4-3-5-7-14)15(22)12-24-17-20-19-16(23-17)13-8-10-18-11-9-13/h3-11H,2,12H2,1H3
InChIKeyGHTXFIBHUNAXIC-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.28
Rot. Bonds6

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

N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2981823) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2981823
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-2-21(14-6-4-3-5-7-14)15(22)12-24-17-20-19-16(23-17)13-8-10-18-11-9-13/h3-11H,2,12H2,1H3
InChIKeyGHTXFIBHUNAXIC-UHFFFAOYSA-N
XLogP3.28
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2981823) is N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GHTXFIBHUNAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-21(14-6-4-3-5-7-14)15(22)12-24-17-20-19-16(23-17)13-8-10-18-11-9-13/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2981823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).