2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide

C18H16N2O5S — CID 2970501

IUPAC2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H16N2O5S/c19-26(23,24)14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)25-18(15)22/h1-8,11H,9-10H2,(H,20,21)(H2,19,23,24)
InChIKeyHQMMKFBZUNKWAS-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.41
Rot. Bonds5

About 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide (PubChem CID 2970501) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide
PubChem CID2970501
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H16N2O5S/c19-26(23,24)14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)25-18(15)22/h1-8,11H,9-10H2,(H,20,21)(H2,19,23,24)
InChIKeyHQMMKFBZUNKWAS-UHFFFAOYSA-N
XLogP1.41
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide (CID 2970501) is 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide?
The InChIKey is HQMMKFBZUNKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c19-26(23,24)14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)25-18(15)22/h1-8,11H,9-10H2,(H,20,21)(H2,19,23,24).
What are the key properties of 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide?
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 2970501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).