3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

C23H22FN3O5S — CID 27620814

IUPAC3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C23H22FN3O5S/c1-3-32-19-11-5-16(6-12-19)22(28)25-26-23(29)21-14-20(13-4-15(21)2)33(30,31)27-18-9-7-17(24)8-10-18/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLRBPSPYCOLCKIA-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.41
Rot. Bonds7

About 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 27620814) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID27620814
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C23H22FN3O5S/c1-3-32-19-11-5-16(6-12-19)22(28)25-26-23(29)21-14-20(13-4-15(21)2)33(30,31)27-18-9-7-17(24)8-10-18/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLRBPSPYCOLCKIA-UHFFFAOYSA-N
XLogP3.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide 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-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346
3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43004149
3,4-difluoro-N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 25335648
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 30291015
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (CID 27620814) is 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is CCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1.
What is the InChIKey of 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is LRBPSPYCOLCKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-3-32-19-11-5-16(6-12-19)22(28)25-26-23(29)21-14-20(13-4-15(21)2)33(30,31)27-18-9-7-17(24)8-10-18/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 471.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 27620814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).