4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C19H17N3O4S — CID 3415045

IUPAC4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-14(8-10-15)18(24)20-11-17-21-22-19(26-17)27-12-16(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyOTWMKXBQFHGWDP-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.98
Rot. Bonds8

About 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 3415045) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID3415045
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-14(8-10-15)18(24)20-11-17-21-22-19(26-17)27-12-16(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyOTWMKXBQFHGWDP-UHFFFAOYSA-N
XLogP2.98
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 3415045) is 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is OTWMKXBQFHGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-15-9-7-14(8-10-15)18(24)20-11-17-21-22-19(26-17)27-12-16(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 383.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 3415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).