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

C20H17NO3S2 — CID 23602480

IUPACN-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C20H17NO3S2/c1-2-13-7-3-5-9-16(13)21-20(22)17-11-14-12-26(23,24)18-10-6-4-8-15(18)19(14)25-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyIYDLSCMVPHIDBN-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.52
Rot. Bonds3

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

N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602480) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602480
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC NameN-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C20H17NO3S2/c1-2-13-7-3-5-9-16(13)21-20(22)17-11-14-12-26(23,24)18-10-6-4-8-15(18)19(14)25-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyIYDLSCMVPHIDBN-UHFFFAOYSA-N
XLogP4.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602423
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602382
N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602509
methyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]benzoate
CID 23602632
N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602466
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
7-chloro-N-(4-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602657
N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602413
N-(2-methylphenyl)-5,5-dioxo-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602437

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602480) is N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is IYDLSCMVPHIDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c1-2-13-7-3-5-9-16(13)21-20(22)17-11-14-12-26(23,24)18-10-6-4-8-15(18)19(14)25-17/h3-11H,2,12H2,1H3,(H,21,22).
What are the key properties of N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).