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

C18H20N2O4S2 — CID 23602413

IUPACN-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H20N2O4S2/c21-18(19-5-6-20-7-9-24-10-8-20)15-11-13-12-26(22,23)16-4-2-1-3-14(16)17(13)25-15/h1-4,11H,5-10,12H2,(H,19,21)
InChIKeyRDGXCPCIPQYGDN-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.76
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602413) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602413
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H20N2O4S2/c21-18(19-5-6-20-7-9-24-10-8-20)15-11-13-12-26(22,23)16-4-2-1-3-14(16)17(13)25-15/h1-4,11H,5-10,12H2,(H,19,21)
InChIKeyRDGXCPCIPQYGDN-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
7-methoxy-N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 31335998
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602480
1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one
CID 23602493
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 49067552
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602511
N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602382
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602413) is N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(NCCN1CCOCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is RDGXCPCIPQYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c21-18(19-5-6-20-7-9-24-10-8-20)15-11-13-12-26(22,23)16-4-2-1-3-14(16)17(13)25-15/h1-4,11H,5-10,12H2,(H,19,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).