3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

C24H24FN3O5S — CID 43004149

IUPAC3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H24FN3O5S/c1-15-4-9-19(10-5-15)28-34(31,32)21-13-6-16(2)22(14-21)24(30)27-26-23(29)17(3)33-20-11-7-18(25)8-12-20/h4-14,17,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyIUIMURCGSBNOKQ-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.47
Rot. Bonds7

About 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 43004149) has the molecular formula C24H24FN3O5S and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID43004149
Molecular FormulaC24H24FN3O5S
Molecular Weight485.54 g/mol
Exact Mass485.14
IUPAC Name3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H24FN3O5S/c1-15-4-9-19(10-5-15)28-34(31,32)21-13-6-16(2)22(14-21)24(30)27-26-23(29)17(3)33-20-11-7-18(25)8-12-20/h4-14,17,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyIUIMURCGSBNOKQ-UHFFFAOYSA-N
XLogP3.47
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide 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

3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 46462711
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 9367206
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 43004149) is 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is IUIMURCGSBNOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S/c1-15-4-9-19(10-5-15)28-34(31,32)21-13-6-16(2)22(14-21)24(30)27-26-23(29)17(3)33-20-11-7-18(25)8-12-20/h4-14,17,28H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 485.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43004149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).