N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

C15H13NO4S — CID 8933682

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccsc1)OCO2
InChIInChI=1S/C15H13NO4S/c1-9(17)11-5-13-14(20-8-19-13)6-12(11)16-15(18)4-10-2-3-21-7-10/h2-3,5-7H,4,8H2,1H3,(H,16,18)
InChIKeyRJFDQSXEGDVFNT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.86
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide (PubChem CID 8933682) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
PubChem CID8933682
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccsc1)OCO2
InChIInChI=1S/C15H13NO4S/c1-9(17)11-5-13-14(20-8-19-13)6-12(11)16-15(18)4-10-2-3-21-7-10/h2-3,5-7H,4,8H2,1H3,(H,16,18)
InChIKeyRJFDQSXEGDVFNT-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(1,3-benzodioxol-5-yl)-2-ethylsulfanylbenzamide
CID 1094117
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 2478312
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
6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 373169
6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 373177
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 650223
N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 887181
Methyl 4,5-dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoate
CID 995672
6-(1-benzothiophen-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 44220720
6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 56934048

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide (CID 8933682) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide is CC(=O)c1cc2c(cc1NC(=O)Cc1ccsc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
The InChIKey is RJFDQSXEGDVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-9(17)11-5-13-14(20-8-19-13)6-12(11)16-15(18)4-10-2-3-21-7-10/h2-3,5-7H,4,8H2,1H3,(H,16,18).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide has a molecular weight of 303.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 8933682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).