2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide

C18H16N2O6S — CID 41180562

IUPAC2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1
InChIInChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyVZBSCWDKCMOJCR-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.63
Rot. Bonds5

About 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide

2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 41180562) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID41180562
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1
InChIInChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyVZBSCWDKCMOJCR-UHFFFAOYSA-N
XLogP1.63
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
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 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide (CID 41180562) is 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide is COc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VZBSCWDKCMOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 388.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-oxochromen-4-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 41180562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).