N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide

C17H14FNO3S — CID 18880283

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H14FNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-11,16H,12H2
InChIKeyUPZDWEMSSPBDGF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.78
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide (PubChem CID 18880283) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
PubChem CID18880283
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H14FNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-11,16H,12H2
InChIKeyUPZDWEMSSPBDGF-UHFFFAOYSA-N
XLogP2.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.78
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)-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide (CID 18880283) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide is O=C(c1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide?
The InChIKey is UPZDWEMSSPBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-11,16H,12H2.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide has a molecular weight of 331.37 g/mol, XLogP of 2.78, 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)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 18880283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).