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

C20H17NO4S2 — CID 23602423

IUPACN-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C20H17NO4S2/c1-2-25-16-9-5-4-8-15(16)21-20(22)17-11-13-12-27(23,24)18-10-6-3-7-14(18)19(13)26-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyHAJNKHBXAPZMME-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.35
Rot. Bonds4

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

N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602423) has the molecular formula C20H17NO4S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602423
Molecular FormulaC20H17NO4S2
Molecular Weight399.49 g/mol
Exact Mass399.06
IUPAC NameN-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C20H17NO4S2/c1-2-25-16-9-5-4-8-15(16)21-20(22)17-11-13-12-27(23,24)18-10-6-3-7-14(18)19(13)26-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyHAJNKHBXAPZMME-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602509
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484
N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602382
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 60530751
methyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]benzoate
CID 23602632
(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7935040
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602466
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
N-(2-ethoxyphenyl)-4-methylthiophene-2-carboxamide
CID 110860143

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602423) is N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCOc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is HAJNKHBXAPZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S2/c1-2-25-16-9-5-4-8-15(16)21-20(22)17-11-13-12-27(23,24)18-10-6-3-7-14(18)19(13)26-17/h3-11H,2,12H2,1H3,(H,21,22).
What are the key properties of N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).