(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate

C20H19NO7S — CID 7828090

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H19NO7S/c1-3-21-29(24,25)16-7-4-13(5-8-16)20(23)27-12-14-10-19(22)28-18-11-15(26-2)6-9-17(14)18/h4-11,21H,3,12H2,1-2H3
InChIKeyNSDFJUFWMIDZRV-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.46
Rot. Bonds7

About (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate

(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate (PubChem CID 7828090) has the molecular formula C20H19NO7S and a molecular weight of 417.44 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
PubChem CID7828090
Molecular FormulaC20H19NO7S
Molecular Weight417.44 g/mol
Exact Mass417.09
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H19NO7S/c1-3-21-29(24,25)16-7-4-13(5-8-16)20(23)27-12-14-10-19(22)28-18-11-15(26-2)6-9-17(14)18/h4-11,21H,3,12H2,1-2H3
InChIKeyNSDFJUFWMIDZRV-UHFFFAOYSA-N
XLogP2.46
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614104
(7-methoxy-2-oxochromen-4-yl)methyl 3-(benzylsulfamoyl)benzoate
CID 3535835
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811334
(7-methoxy-2-oxochromen-4-yl)methyl 5-(tert-butylsulfamoyl)-2-methylbenzoate
CID 71904931
(7-methyl-2-oxochromen-4-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 3662243
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4802061
(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
CID 7676822
2-O-[(7-methoxy-2-oxochromen-4-yl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7557792
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate
CID 55378936

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate (CID 7828090) is (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate?
The InChIKey is NSDFJUFWMIDZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7S/c1-3-21-29(24,25)16-7-4-13(5-8-16)20(23)27-12-14-10-19(22)28-18-11-15(26-2)6-9-17(14)18/h4-11,21H,3,12H2,1-2H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate?
(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate has a molecular weight of 417.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 7828090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).