6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one

C19H21NO4S — CID 6463568

IUPAC6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one
SMILESCOCCN(Cc1cccs1)Cc1cc(=O)oc2ccc(OC)cc12
InChIInChI=1S/C19H21NO4S/c1-22-8-7-20(13-16-4-3-9-25-16)12-14-10-19(21)24-18-6-5-15(23-2)11-17(14)18/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyVKZLFPBBQIXPAE-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.51
Rot. Bonds8

About 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one

6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one (PubChem CID 6463568) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one
PubChem CID6463568
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one
SMILESCOCCN(Cc1cccs1)Cc1cc(=O)oc2ccc(OC)cc12
InChIInChI=1S/C19H21NO4S/c1-22-8-7-20(13-16-4-3-9-25-16)12-14-10-19(21)24-18-6-5-15(23-2)11-17(14)18/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyVKZLFPBBQIXPAE-UHFFFAOYSA-N
XLogP3.51
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one?
The IUPAC name of 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one (CID 6463568) is 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one?
The canonical SMILES for 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one is COCCN(Cc1cccs1)Cc1cc(=O)oc2ccc(OC)cc12.
What is the InChIKey of 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one?
The InChIKey is VKZLFPBBQIXPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-22-8-7-20(13-16-4-3-9-25-16)12-14-10-19(21)24-18-6-5-15(23-2)11-17(14)18/h3-6,9-11H,7-8,12-13H2,1-2H3.
What are the key properties of 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one?
6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one has a molecular weight of 359.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one is sourced from PubChem (CID 6463568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).