8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide

C20H20N2O7S — CID 52931842

IUPAC8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1c(OC)ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc12
InChIInChI=1S/C20H20N2O7S/c1-4-28-18-16(27-3)8-5-12-10-14(20(24)29-17(12)18)19(23)22-15-7-6-13(9-11(15)2)30(21,25)26/h5-10H,4H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeyHCYBNWMYOVXHEN-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.41
Rot. Bonds6

About 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide

8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 52931842) has the molecular formula C20H20N2O7S and a molecular weight of 432.45 g/mol. Its IUPAC name is 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
PubChem CID52931842
Molecular FormulaC20H20N2O7S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1c(OC)ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc12
InChIInChI=1S/C20H20N2O7S/c1-4-28-18-16(27-3)8-5-12-10-14(20(24)29-17(12)18)19(23)22-15-7-6-13(9-11(15)2)30(21,25)26/h5-10H,4H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeyHCYBNWMYOVXHEN-UHFFFAOYSA-N
XLogP2.41
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
CID 52931843
N-[4-(2-amino-1-hydroxyethyl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
CID 87589006
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-8-(2-methylpropoxy)-2-oxochromene-3-carboxamide
CID 87589481
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide (CID 52931842) is 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide is CCOc1c(OC)ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc12.
What is the InChIKey of 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is HCYBNWMYOVXHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7S/c1-4-28-18-16(27-3)8-5-12-10-14(20(24)29-17(12)18)19(23)22-15-7-6-13(9-11(15)2)30(21,25)26/h5-10H,4H2,1-3H3,(H,22,23)(H2,21,25,26).
What are the key properties of 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide?
8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 52931842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).