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

C20H17NO3S2 — CID 23602466

IUPACN-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1
InChIInChI=1S/C20H17NO3S2/c1-2-21(15-8-4-3-5-9-15)20(22)17-12-14-13-26(23,24)18-11-7-6-10-16(18)19(14)25-17/h3-12H,2,13H2,1H3
InChIKeyGSNONOPHEVQSFL-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.37
Rot. Bonds3

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

N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602466) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602466
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC NameN-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1
InChIInChI=1S/C20H17NO3S2/c1-2-21(15-8-4-3-5-9-15)20(22)17-12-14-13-26(23,24)18-11-7-6-10-16(18)19(14)25-17/h3-12H,2,13H2,1H3
InChIKeyGSNONOPHEVQSFL-UHFFFAOYSA-N
XLogP4.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602466) is N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1.
What is the InChIKey of N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is GSNONOPHEVQSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c1-2-21(15-8-4-3-5-9-15)20(22)17-12-14-13-26(23,24)18-11-7-6-10-16(18)19(14)25-17/h3-12H,2,13H2,1H3.
What are the key properties of N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).