2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide

C18H20N2O4S — CID 9141062

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(N)(=O)=O
InChIInChI=1S/C18H20N2O4S/c1-12-5-7-15(10-17(12)25(19,22)23)20-18(21)11-24-16-8-6-13-3-2-4-14(13)9-16/h5-10H,2-4,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZARDVLJTXDQTSF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.15
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide (PubChem CID 9141062) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
PubChem CID9141062
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(N)(=O)=O
InChIInChI=1S/C18H20N2O4S/c1-12-5-7-15(10-17(12)25(19,22)23)20-18(21)11-24-16-8-6-13-3-2-4-14(13)9-16/h5-10H,2-4,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZARDVLJTXDQTSF-UHFFFAOYSA-N
XLogP2.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide (CID 9141062) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(N)(=O)=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The InChIKey is ZARDVLJTXDQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-5-7-15(10-17(12)25(19,22)23)20-18(21)11-24-16-8-6-13-3-2-4-14(13)9-16/h5-10H,2-4,11H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9141062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).