N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

C24H20N2O7S — CID 3450586

IUPACN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O7S/c1-31-21-10-6-4-8-18(21)26-34(29,30)16-11-12-22(32-2)19(14-16)25-23(27)17-13-15-7-3-5-9-20(15)33-24(17)28/h3-14,26H,1-2H3,(H,25,27)
InChIKeyRNYBDEVQQHXODZ-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.86
Rot. Bonds7

About N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 3450586) has the molecular formula C24H20N2O7S and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID3450586
Molecular FormulaC24H20N2O7S
Molecular Weight480.50 g/mol
Exact Mass480.10
IUPAC NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O7S/c1-31-21-10-6-4-8-18(21)26-34(29,30)16-11-12-22(32-2)19(14-16)25-23(27)17-13-15-7-3-5-9-20(15)33-24(17)28/h3-14,26H,1-2H3,(H,25,27)
InChIKeyRNYBDEVQQHXODZ-UHFFFAOYSA-N
XLogP3.86
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (CID 3450586) is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is RNYBDEVQQHXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7S/c1-31-21-10-6-4-8-18(21)26-34(29,30)16-11-12-22(32-2)19(14-16)25-23(27)17-13-15-7-3-5-9-20(15)33-24(17)28/h3-14,26H,1-2H3,(H,25,27).
What are the key properties of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3450586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).