N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C24H19NO5S — CID 108730744

IUPACN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCC(=O)c4cccs4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H19NO5S/c1-29-17-8-10-21-18(13-17)20(27)14-22(30-21)15-4-6-16(7-5-15)25-24(28)11-9-19(26)23-3-2-12-31-23/h2-8,10,12-14H,9,11H2,1H3,(H,25,28)
InChIKeyOQIGYPIBFDTKLQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.13
Rot. Bonds7

About N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108730744) has the molecular formula C24H19NO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108730744
Molecular FormulaC24H19NO5S
Molecular Weight433.49 g/mol
Exact Mass433.10
IUPAC NameN-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)CCC(=O)c4cccs4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H19NO5S/c1-29-17-8-10-21-18(13-17)20(27)14-22(30-21)15-4-6-16(7-5-15)25-24(28)11-9-19(26)23-3-2-12-31-23/h2-8,10,12-14H,9,11H2,1H3,(H,25,28)
InChIKeyOQIGYPIBFDTKLQ-UHFFFAOYSA-N
XLogP5.13
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108730744) is N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc2oc(-c3ccc(NC(=O)CCC(=O)c4cccs4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is OQIGYPIBFDTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S/c1-29-17-8-10-21-18(13-17)20(27)14-22(30-21)15-4-6-16(7-5-15)25-24(28)11-9-19(26)23-3-2-12-31-23/h2-8,10,12-14H,9,11H2,1H3,(H,25,28).
What are the key properties of N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 433.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108730744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).