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

C18H15N3O4S — CID 2561393

IUPACN-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O4S/c22-16(19-13-6-7-14-15(9-13)24-11-23-14)10-26-18-21-20-17(25-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,22)
InChIKeyGORSHIVMOJXXLM-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.12
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2561393) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2561393
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O4S/c22-16(19-13-6-7-14-15(9-13)24-11-23-14)10-26-18-21-20-17(25-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,22)
InChIKeyGORSHIVMOJXXLM-UHFFFAOYSA-N
XLogP3.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2561393) is N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GORSHIVMOJXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-16(19-13-6-7-14-15(9-13)24-11-23-14)10-26-18-21-20-17(25-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2561393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).