2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide

C13H16FNO4S2 — CID 51089091

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S2/c1-19-12-6-9(14)2-3-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDGNOVRJCKOGYNW-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.69
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide (PubChem CID 51089091) has the molecular formula C13H16FNO4S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide
PubChem CID51089091
Molecular FormulaC13H16FNO4S2
Molecular Weight333.41 g/mol
Exact Mass333.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO4S2/c1-19-12-6-9(14)2-3-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDGNOVRJCKOGYNW-UHFFFAOYSA-N
XLogP1.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide (CID 51089091) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide is COc1cc(F)ccc1NC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide?
The InChIKey is DGNOVRJCKOGYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S2/c1-19-12-6-9(14)2-3-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-fluoro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 51089091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).