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

C20H23N3O4S — CID 155520222

IUPAC4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-11-8-15(9-12-16)20(25)22-21-17-13-10-14-6-5-7-18(24)19(14)17/h5-9,11-12,24H,3-4,10,13H2,1-2H3,(H,22,25)/b21-17+
InChIKeyDDKORFFCQJYSLI-HEHNFIMWSA-N
MW401.49 g/mol
LogP2.50
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (PubChem CID 155520222) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
PubChem CID155520222
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-11-8-15(9-12-16)20(25)22-21-17-13-10-14-6-5-7-18(24)19(14)17/h5-9,11-12,24H,3-4,10,13H2,1-2H3,(H,22,25)/b21-17+
InChIKeyDDKORFFCQJYSLI-HEHNFIMWSA-N
XLogP2.50
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
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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Related Compounds

N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 137060470
3-(diethylsulfamoyl)-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]benzamide
CID 135401251
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
CID 135804205
Lsd1-IN-29
CID 136240105
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylsulfonylbenzamide
CID 155512249
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 155543573
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 155553274
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 155567229
N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
CID 168294077
3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135520033
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 145968224
3-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
CID 155553511

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (CID 155520222) is 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The InChIKey is DDKORFFCQJYSLI-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-23(4-2)28(26,27)16-11-8-15(9-12-16)20(25)22-21-17-13-10-14-6-5-7-18(24)19(14)17/h5-9,11-12,24H,3-4,10,13H2,1-2H3,(H,22,25)/b21-17+.
What are the key properties of 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 155520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).