5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide

C17H20N2O5S — CID 53282739

IUPAC5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1
InChIInChI=1S/C17H20N2O5S/c1-4-24-13-7-5-6-12(10-13)19-25(21,22)14-8-9-16(23-3)15(11-14)17(20)18-2/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyVOPASKILCYRCSM-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.25
Rot. Bonds7

About 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide

5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide (PubChem CID 53282739) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
PubChem CID53282739
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1
InChIInChI=1S/C17H20N2O5S/c1-4-24-13-7-5-6-12(10-13)19-25(21,22)14-8-9-16(23-3)15(11-14)17(20)18-2/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyVOPASKILCYRCSM-UHFFFAOYSA-N
XLogP2.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide (CID 53282739) is 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide is CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide?
The InChIKey is VOPASKILCYRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-4-24-13-7-5-6-12(10-13)19-25(21,22)14-8-9-16(23-3)15(11-14)17(20)18-2/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide?
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 53282739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).