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

C19H15NO2S2 — CID 6623288

IUPACN-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1
InChIInChI=1S/C19H15NO2S2/c1-22-14-8-6-13(7-9-14)20-19(21)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3,(H,20,21)
InChIKeyAHKOQTKOYQGZTO-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.28
Rot. Bonds3

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

N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6623288) has the molecular formula C19H15NO2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6623288
Molecular FormulaC19H15NO2S2
Molecular Weight353.47 g/mol
Exact Mass353.05
IUPAC NameN-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1
InChIInChI=1S/C19H15NO2S2/c1-22-14-8-6-13(7-9-14)20-19(21)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3,(H,20,21)
InChIKeyAHKOQTKOYQGZTO-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484
N-(4-fluorophenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947383
N-(4-ethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947543
7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602775
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261423
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 55825894
N-[4-[2-(2,4-dimethoxyphenyl)ethyl]phenyl]-4-hydroxy-2H-thiochromene-3-carboxamide
CID 54690117
7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602873
7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602879
8-methoxy-6H-benzo[c][1]benzothiepin-11-one
CID 125471407

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6623288) is N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is AHKOQTKOYQGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S2/c1-22-14-8-6-13(7-9-14)20-19(21)17-10-12-11-23-16-5-3-2-4-15(16)18(12)24-17/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6623288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).