3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

C21H23N3O4S — CID 155527134

IUPAC3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H23N3O4S/c25-19-10-4-5-14-11-12-18(20(14)19)22-23-21(26)15-6-3-9-17(13-15)29(27,28)24-16-7-1-2-8-16/h3-6,9-10,13,16,24-25H,1-2,7-8,11-12H2,(H,23,26)/b22-18+
InChIKeyCDMUMHJOCOLJSJ-RELWKKBWSA-N
MW413.50 g/mol
LogP2.69
Rot. Bonds5

About 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (PubChem CID 155527134) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
PubChem CID155527134
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H23N3O4S/c25-19-10-4-5-14-11-12-18(20(14)19)22-23-21(26)15-6-3-9-17(13-15)29(27,28)24-16-7-1-2-8-16/h3-6,9-10,13,16,24-25H,1-2,7-8,11-12H2,(H,23,26)/b22-18+
InChIKeyCDMUMHJOCOLJSJ-RELWKKBWSA-N
XLogP2.69
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (CID 155527134) is 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The InChIKey is CDMUMHJOCOLJSJ-RELWKKBWSA-N. The full InChI is InChI=1S/C21H23N3O4S/c25-19-10-4-5-14-11-12-18(20(14)19)22-23-21(26)15-6-3-9-17(13-15)29(27,28)24-16-7-1-2-8-16/h3-6,9-10,13,16,24-25H,1-2,7-8,11-12H2,(H,23,26)/b22-18+.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 155527134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).