N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide

C22H21N3O3S — CID 134057652

IUPACN-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N3O3S/c1-2-23-29(27,28)20-15-9-14-19(16-20)22(26)25-24-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,23H,2H2,1H3,(H,25,26)
InChIKeyDHFGZYPUSQYNEC-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.17
Rot. Bonds7

About N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide

N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide (PubChem CID 134057652) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
PubChem CID134057652
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N3O3S/c1-2-23-29(27,28)20-15-9-14-19(16-20)22(26)25-24-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,23H,2H2,1H3,(H,25,26)
InChIKeyDHFGZYPUSQYNEC-UHFFFAOYSA-N
XLogP3.17
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6064728
N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
CID 32965738
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
CID 43074354
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 27365149
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
3-(ethylsulfamoyl)-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848842

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide (CID 134057652) is N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide?
The InChIKey is DHFGZYPUSQYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-2-23-29(27,28)20-15-9-14-19(16-20)22(26)25-24-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,23H,2H2,1H3,(H,25,26).
What are the key properties of N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide?
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 134057652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).