2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

C13H17NO4S — CID 90647476

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CC2C=CS(=O)(=O)C2)o1
InChIInChI=1S/C13H17NO4S/c1-10-2-3-12(18-10)4-6-14-13(15)8-11-5-7-19(16,17)9-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15)
InChIKeyUSRGRNSFQYCSQT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.20
Rot. Bonds5

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 90647476) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID90647476
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CC2C=CS(=O)(=O)C2)o1
InChIInChI=1S/C13H17NO4S/c1-10-2-3-12(18-10)4-6-14-13(15)8-11-5-7-19(16,17)9-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15)
InChIKeyUSRGRNSFQYCSQT-UHFFFAOYSA-N
XLogP1.20
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide (CID 90647476) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc(CCNC(=O)CC2C=CS(=O)(=O)C2)o1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is USRGRNSFQYCSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10-2-3-12(18-10)4-6-14-13(15)8-11-5-7-19(16,17)9-11/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 90647476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).