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

C19H15NO4S2 — CID 23602484

IUPACN-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1
InChIInChI=1S/C19H15NO4S2/c1-24-14-8-6-13(7-9-14)20-19(21)16-10-12-11-26(22,23)17-5-3-2-4-15(17)18(12)25-16/h2-10H,11H2,1H3,(H,20,21)
InChIKeySYRLTMILBXPPOE-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.96
Rot. Bonds3

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

N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602484) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602484
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC NameN-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1
InChIInChI=1S/C19H15NO4S2/c1-24-14-8-6-13(7-9-14)20-19(21)16-10-12-11-26(22,23)17-5-3-2-4-15(17)18(12)25-16/h2-10H,11H2,1H3,(H,20,21)
InChIKeySYRLTMILBXPPOE-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602378
N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602382
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623288
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602480
N-(2-ethoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602423
7-chloro-N-(4-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602657
7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602693
N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
N-(4-fluorophenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947383
N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602509
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
methyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]benzoate
CID 23602632

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602484) is N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is SYRLTMILBXPPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c1-24-14-8-6-13(7-9-14)20-19(21)16-10-12-11-26(22,23)17-5-3-2-4-15(17)18(12)25-16/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).