8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide

C20H15NO5S — CID 122264327

IUPAC8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccc(-c4cccs4)o3)c(=O)oc12
InChIInChI=1S/C20H15NO5S/c1-24-16-5-2-4-12-10-14(20(23)26-18(12)16)19(22)21-11-13-7-8-15(25-13)17-6-3-9-27-17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyTZFPGKSDJQYXOH-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.05
Rot. Bonds5

About 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide (PubChem CID 122264327) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
PubChem CID122264327
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccc(-c4cccs4)o3)c(=O)oc12
InChIInChI=1S/C20H15NO5S/c1-24-16-5-2-4-12-10-14(20(23)26-18(12)16)19(22)21-11-13-7-8-15(25-13)17-6-3-9-27-17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyTZFPGKSDJQYXOH-UHFFFAOYSA-N
XLogP4.05
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264568
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122353954
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 154583838
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 121170131
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122264352
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide (CID 122264327) is 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NCc3ccc(-c4cccs4)o3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide?
The InChIKey is TZFPGKSDJQYXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5S/c1-24-16-5-2-4-12-10-14(20(23)26-18(12)16)19(22)21-11-13-7-8-15(25-13)17-6-3-9-27-17/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 122264327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).