N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide

C24H27N3O6S — CID 5219389

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C24H27N3O6S/c1-3-27(4-2)34(30,31)18-9-10-21(26-11-13-32-14-12-26)20(16-18)25-23(28)19-15-17-7-5-6-8-22(17)33-24(19)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28)
InChIKeyKQTVBGCJXVWNLM-UHFFFAOYSA-N
MW485.56 g/mol
LogP2.91
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide (PubChem CID 5219389) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide
PubChem CID5219389
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C24H27N3O6S/c1-3-27(4-2)34(30,31)18-9-10-21(26-11-13-32-14-12-26)20(16-18)25-23(28)19-15-17-7-5-6-8-22(17)33-24(19)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28)
InChIKeyKQTVBGCJXVWNLM-UHFFFAOYSA-N
XLogP2.91
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide (CID 5219389) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide?
The InChIKey is KQTVBGCJXVWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-3-27(4-2)34(30,31)18-9-10-21(26-11-13-32-14-12-26)20(16-18)25-23(28)19-15-17-7-5-6-8-22(17)33-24(19)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5219389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).