3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide

C19H18N2O5S — CID 2675739

IUPAC3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C19H18N2O5S/c1-12-9-18(22)26-17-11-14(7-8-16(12)17)20-19(23)13-5-4-6-15(10-13)27(24,25)21(2)3/h4-11H,1-3H3,(H,20,23)
InChIKeyMNEZDXGLQDKHNZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.60
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide

3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 2675739) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID2675739
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C19H18N2O5S/c1-12-9-18(22)26-17-11-14(7-8-16(12)17)20-19(23)13-5-4-6-15(10-13)27(24,25)21(2)3/h4-11H,1-3H3,(H,20,23)
InChIKeyMNEZDXGLQDKHNZ-UHFFFAOYSA-N
XLogP2.60
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 2675739) is 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide is Cc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc12.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is MNEZDXGLQDKHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-9-18(22)26-17-11-14(7-8-16(12)17)20-19(23)13-5-4-6-15(10-13)27(24,25)21(2)3/h4-11H,1-3H3,(H,20,23).
What are the key properties of 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide?
3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 386.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 2675739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).