2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C16H19FN2O3S — CID 134005259

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H19FN2O3S/c1-10-12(13-7-11(17)3-4-14(13)18-10)8-15(20)19-16(2)5-6-23(21,22)9-16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyWVZLTYVQYWKLPH-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.85
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 134005259) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID134005259
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H19FN2O3S/c1-10-12(13-7-11(17)3-4-14(13)18-10)8-15(20)19-16(2)5-6-23(21,22)9-16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyWVZLTYVQYWKLPH-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 134005259) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WVZLTYVQYWKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-10-12(13-7-11(17)3-4-14(13)18-10)8-15(20)19-16(2)5-6-23(21,22)9-16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 338.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 134005259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).