N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

C20H16FNO3S2 — CID 6620175

IUPACN-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO3S2/c1-2-22(15-9-7-14(21)8-10-15)20(23)17-11-13-12-27(24,25)18-6-4-3-5-16(18)19(13)26-17/h3-11H,2,12H2,1H3
InChIKeyFCORQCWVWQYLLJ-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.51
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6620175) has the molecular formula C20H16FNO3S2 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6620175
Molecular FormulaC20H16FNO3S2
Molecular Weight401.48 g/mol
Exact Mass401.06
IUPAC NameN-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO3S2/c1-2-22(15-9-7-14(21)8-10-15)20(23)17-11-13-12-27(24,25)18-6-4-3-5-16(18)19(13)26-17/h3-11H,2,12H2,1H3
InChIKeyFCORQCWVWQYLLJ-UHFFFAOYSA-N
XLogP4.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6620175) is N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is FCORQCWVWQYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S2/c1-2-22(15-9-7-14(21)8-10-15)20(23)17-11-13-12-27(24,25)18-6-4-3-5-16(18)19(13)26-17/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6620175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).