N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide

C17H18FNO4S — CID 2985949

IUPACN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2F)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C17H18FNO4S/c1-12-6-7-14(23-12)10-19(13-8-9-24(21,22)11-13)17(20)15-4-2-3-5-16(15)18/h2-7,13H,8-11H2,1H3
InChIKeyZEDLOACTKSONRU-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.56
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 2985949) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID2985949
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2F)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C17H18FNO4S/c1-12-6-7-14(23-12)10-19(13-8-9-24(21,22)11-13)17(20)15-4-2-3-5-16(15)18/h2-7,13H,8-11H2,1H3
InChIKeyZEDLOACTKSONRU-UHFFFAOYSA-N
XLogP2.56
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 2985949) is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccccc2F)C2CCS(=O)(=O)C2)o1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is ZEDLOACTKSONRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12-6-7-14(23-12)10-19(13-8-9-24(21,22)11-13)17(20)15-4-2-3-5-16(15)18/h2-7,13H,8-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 351.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 2985949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).