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

C12H11N3O4S — CID 650438

IUPACN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C12H11N3O4S/c1-7-14-15-12(19-7)20-5-11(16)13-8-2-3-9-10(4-8)18-6-17-9/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyPUEQIKAAUOYPET-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.84
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 650438) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID650438
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C12H11N3O4S/c1-7-14-15-12(19-7)20-5-11(16)13-8-2-3-9-10(4-8)18-6-17-9/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyPUEQIKAAUOYPET-UHFFFAOYSA-N
XLogP1.84
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.84
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-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 650438) is N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PUEQIKAAUOYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-7-14-15-12(19-7)20-5-11(16)13-8-2-3-9-10(4-8)18-6-17-9/h2-4H,5-6H2,1H3,(H,13,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 293.30 g/mol, XLogP of 1.84, 4 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-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 650438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).