N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide

C20H15NO5S — CID 121133440

IUPACN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO5S/c22-14-10-17(26-15-5-2-1-4-13(14)15)20(24)21-11-12-7-8-18(27-12)19(23)16-6-3-9-25-16/h1-10,19,23H,11H2,(H,21,24)
InChIKeyJNNDHWHJHRZQGI-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.46
Rot. Bonds5

About N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 121133440) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID121133440
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO5S/c22-14-10-17(26-15-5-2-1-4-13(14)15)20(24)21-11-12-7-8-18(27-12)19(23)16-6-3-9-25-16/h1-10,19,23H,11H2,(H,21,24)
InChIKeyJNNDHWHJHRZQGI-UHFFFAOYSA-N
XLogP3.46
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 90612940
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26834088
2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133418
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405

Frequently Asked Questions

What is the IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide (CID 121133440) is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide is O=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is JNNDHWHJHRZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5S/c22-14-10-17(26-15-5-2-1-4-13(14)15)20(24)21-11-12-7-8-18(27-12)19(23)16-6-3-9-25-16/h1-10,19,23H,11H2,(H,21,24).
What are the key properties of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide?
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 121133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).