4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide

C20H23N3O3S — CID 92644415

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C(/C)CC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-4-15-23(27(25,26)19-9-7-6-8-10-19)18-13-11-17(12-14-18)20(24)22-21-16(3)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,24)/b21-16-
InChIKeyRJDKTWJYRMQFDS-PGMHBOJBSA-N
MW385.49 g/mol
LogP3.58
Rot. Bonds8

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide (PubChem CID 92644415) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
PubChem CID92644415
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C(/C)CC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-4-15-23(27(25,26)19-9-7-6-8-10-19)18-13-11-17(12-14-18)20(24)22-21-16(3)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,24)/b21-16-
InChIKeyRJDKTWJYRMQFDS-PGMHBOJBSA-N
XLogP3.58
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 136738042
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]benzamide
CID 92648442
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 92648462
4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644406
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 132674498
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide (CID 92644415) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide is C=CCN(c1ccc(C(=O)N/N=C(/C)CC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide?
The InChIKey is RJDKTWJYRMQFDS-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-15-23(27(25,26)19-9-7-6-8-10-19)18-13-11-17(12-14-18)20(24)22-21-16(3)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,24)/b21-16-.
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide is sourced from PubChem (CID 92644415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).