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

C24H21N3O5S — CID 177374551

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H21N3O5S/c28-22(25-10-9-16-5-8-20-21(11-16)31-15-30-20)14-33-24-27-26-23(32-24)13-29-19-7-6-17-3-1-2-4-18(17)12-19/h1-8,11-12H,9-10,13-15H2,(H,25,28)
InChIKeyPEICCGWQHGLSMY-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.98
Rot. Bonds9

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 177374551) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID177374551
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H21N3O5S/c28-22(25-10-9-16-5-8-20-21(11-16)31-15-30-20)14-33-24-27-26-23(32-24)13-29-19-7-6-17-3-1-2-4-18(17)12-19/h1-8,11-12H,9-10,13-15H2,(H,25,28)
InChIKeyPEICCGWQHGLSMY-UHFFFAOYSA-N
XLogP3.98
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 177374551) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PEICCGWQHGLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c28-22(25-10-9-16-5-8-20-21(11-16)31-15-30-20)14-33-24-27-26-23(32-24)13-29-19-7-6-17-3-1-2-4-18(17)12-19/h1-8,11-12H,9-10,13-15H2,(H,25,28).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 463.52 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 177374551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).