2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide

C23H18N2O6S — CID 175811083

IUPAC2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
InChIInChI=1S/C23H18N2O6S/c24-32(28,29)19-10-7-17(8-11-19)25-22(26)20-12-16-6-9-18(13-21(16)31-23(20)27)30-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H2,24,28,29)
InChIKeyOVNQZKGTOXNAPX-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.27
Rot. Bonds6

About 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide

2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide (PubChem CID 175811083) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
PubChem CID175811083
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC Name2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
InChIInChI=1S/C23H18N2O6S/c24-32(28,29)19-10-7-17(8-11-19)25-22(26)20-12-16-6-9-18(13-21(16)31-23(20)27)30-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H2,24,28,29)
InChIKeyOVNQZKGTOXNAPX-UHFFFAOYSA-N
XLogP3.27
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
7-[(4-ethenylphenyl)methoxy]-N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 101461531
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
CID 177465411
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide (CID 175811083) is 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1.
What is the InChIKey of 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The InChIKey is OVNQZKGTOXNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c24-32(28,29)19-10-7-17(8-11-19)25-22(26)20-12-16-6-9-18(13-21(16)31-23(20)27)30-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H2,24,28,29).
What are the key properties of 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 175811083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).