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

C18H15F2NO3S — CID 3239964

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C18H15F2NO3S/c19-14-3-1-13(2-4-14)11-18(22)21(16-7-5-15(20)6-8-16)17-9-10-25(23,24)12-17/h1-10,17H,11-12H2
InChIKeySUJFGCVLAFRYQO-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.85
Rot. Bonds4

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide (PubChem CID 3239964) has the molecular formula C18H15F2NO3S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide
PubChem CID3239964
Molecular FormulaC18H15F2NO3S
Molecular Weight363.39 g/mol
Exact Mass363.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C18H15F2NO3S/c19-14-3-1-13(2-4-14)11-18(22)21(16-7-5-15(20)6-8-16)17-9-10-25(23,24)12-17/h1-10,17H,11-12H2
InChIKeySUJFGCVLAFRYQO-UHFFFAOYSA-N
XLogP2.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.85
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,2-bis(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide (CID 3239964) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide?
The InChIKey is SUJFGCVLAFRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S/c19-14-3-1-13(2-4-14)11-18(22)21(16-7-5-15(20)6-8-16)17-9-10-25(23,24)12-17/h1-10,17H,11-12H2.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-fluorophenyl)acetamide has a molecular weight of 363.39 g/mol, XLogP of 2.85, 4 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,2-bis(4-fluorophenyl)acetamide is sourced from PubChem (CID 3239964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).