N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide

C18H16FNO3S — CID 2856901

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2F)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C18H16FNO3S/c1-13-5-4-6-14(11-13)20(15-9-10-24(22,23)12-15)18(21)16-7-2-3-8-17(16)19/h2-11,15H,12H2,1H3
InChIKeyPIKRQQGITFNPKO-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.09
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 2856901) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide
PubChem CID2856901
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2F)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C18H16FNO3S/c1-13-5-4-6-14(11-13)20(15-9-10-24(22,23)12-15)18(21)16-7-2-3-8-17(16)19/h2-11,15H,12H2,1H3
InChIKeyPIKRQQGITFNPKO-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide (CID 2856901) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(N(C(=O)c2ccccc2F)C2C=CS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is PIKRQQGITFNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-13-5-4-6-14(11-13)20(15-9-10-24(22,23)12-15)18(21)16-7-2-3-8-17(16)19/h2-11,15H,12H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 2856901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).