N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

C13H11NO3S — CID 2478312

IUPACN-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO3S/c15-13(5-9-3-4-18-7-9)14-10-1-2-11-12(6-10)17-8-16-11/h1-4,6-7H,5,8H2,(H,14,15)
InChIKeyAQDDGBQCXDBQOR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.66
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide (PubChem CID 2478312) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
PubChem CID2478312
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO3S/c15-13(5-9-3-4-18-7-9)14-10-1-2-11-12(6-10)17-8-16-11/h1-4,6-7H,5,8H2,(H,14,15)
InChIKeyAQDDGBQCXDBQOR-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 304849
CID 304849
(Z)-1-(benzo[d][1,3]dioxol-5-yl)-5-(thiophen-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1849188
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-(1,3-benzodioxol-5-yl)-2-ethylsulfanylbenzamide
CID 1094117
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-1,3-benzodioxol-5-yl-2-(methylthio)benzamide
CID 2227233
N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4879656
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(1,3-benzodioxol-5-yl)-5-bromothiophene-2-carboxamide
CID 1225746
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide (CID 2478312) is N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The InChIKey is AQDDGBQCXDBQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(5-9-3-4-18-7-9)14-10-1-2-11-12(6-10)17-8-16-11/h1-4,6-7H,5,8H2,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide has a molecular weight of 261.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2478312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).