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

C15H15NO3S — CID 2970888

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c1-10(16-15(17)8-12-3-2-6-20-12)11-4-5-13-14(7-11)19-9-18-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyJYQRAADUVCMQRQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.90
Rot. Bonds4

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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 2970888) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID2970888
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c1-10(16-15(17)8-12-3-2-6-20-12)11-4-5-13-14(7-11)19-9-18-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyJYQRAADUVCMQRQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32920052
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
[4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
CID 670283
N-piperonyl-1-(2-thienylsulfonyl)isonipecotamide
CID 1190420

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide (CID 2970888) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is JYQRAADUVCMQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10(16-15(17)8-12-3-2-6-20-12)11-4-5-13-14(7-11)19-9-18-13/h2-7,10H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2970888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).