N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide

C19H18FNO5S — CID 43954781

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C19H18FNO5S/c1-25-17-9-13(10-18(11-17)26-2)19(22)21(15-5-3-14(20)4-6-15)16-7-8-27(23,24)12-16/h3-11,16H,12H2,1-2H3
InChIKeyKQXQURLBNOWPSU-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.80
Rot. Bonds5

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide (PubChem CID 43954781) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide
PubChem CID43954781
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C19H18FNO5S/c1-25-17-9-13(10-18(11-17)26-2)19(22)21(15-5-3-14(20)4-6-15)16-7-8-27(23,24)12-16/h3-11,16H,12H2,1-2H3
InChIKeyKQXQURLBNOWPSU-UHFFFAOYSA-N
XLogP2.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide (CID 43954781) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide?
The InChIKey is KQXQURLBNOWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c1-25-17-9-13(10-18(11-17)26-2)19(22)21(15-5-3-14(20)4-6-15)16-7-8-27(23,24)12-16/h3-11,16H,12H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide has a molecular weight of 391.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 43954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).