N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide

C13H15NO4S — CID 2920331

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C13H15NO4S/c1-10(15)14(12-6-7-19(16,17)9-12)11-4-3-5-13(8-11)18-2/h3-8,12H,9H2,1-2H3
InChIKeyACFKTZINNAATMB-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.36
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 2920331) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID2920331
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C13H15NO4S/c1-10(15)14(12-6-7-19(16,17)9-12)11-4-3-5-13(8-11)18-2/h3-8,12H,9H2,1-2H3
InChIKeyACFKTZINNAATMB-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide (CID 2920331) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is ACFKTZINNAATMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-10(15)14(12-6-7-19(16,17)9-12)11-4-3-5-13(8-11)18-2/h3-8,12H,9H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).