N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C20H23FN4O5S — CID 34524023

IUPACN-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H23FN4O5S/c1-3-25(4-2)31(29,30)15-9-7-8-14(12-15)19(27)24-23-18(26)13-22-20(28)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyVTFMSDBMCSAWJP-UHFFFAOYSA-N
MW450.49 g/mol
LogP1.05
Rot. Bonds8

About N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 34524023) has the molecular formula C20H23FN4O5S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID34524023
Molecular FormulaC20H23FN4O5S
Molecular Weight450.49 g/mol
Exact Mass450.14
IUPAC NameN-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H23FN4O5S/c1-3-25(4-2)31(29,30)15-9-7-8-14(12-15)19(27)24-23-18(26)13-22-20(28)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyVTFMSDBMCSAWJP-UHFFFAOYSA-N
XLogP1.05
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 34524023) is N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is VTFMSDBMCSAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O5S/c1-3-25(4-2)31(29,30)15-9-7-8-14(12-15)19(27)24-23-18(26)13-22-20(28)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 450.49 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 34524023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).