N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide

C25H26FN3O5S — CID 55352046

IUPACN-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)cc2)ccc1F
InChIInChI=1S/C25H26FN3O5S/c1-15-6-5-7-23(17(15)3)34-18(4)24(30)27-28-25(31)19-8-10-20(11-9-19)29-35(32,33)21-12-13-22(26)16(2)14-21/h5-14,18,29H,1-4H3,(H,27,30)(H,28,31)
InChIKeyZYPUKWMOWGWRLH-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 55352046) has the molecular formula C25H26FN3O5S and a molecular weight of 499.56 g/mol. Its IUPAC name is N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID55352046
Molecular FormulaC25H26FN3O5S
Molecular Weight499.56 g/mol
Exact Mass499.16
IUPAC NameN-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)cc2)ccc1F
InChIInChI=1S/C25H26FN3O5S/c1-15-6-5-7-23(17(15)3)34-18(4)24(30)27-28-25(31)19-8-10-20(11-9-19)29-35(32,33)21-12-13-22(26)16(2)14-21/h5-14,18,29H,1-4H3,(H,27,30)(H,28,31)
InChIKeyZYPUKWMOWGWRLH-UHFFFAOYSA-N
XLogP3.78
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-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'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 55913791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N-[3-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 46653541
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 55352046) is N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)cc2)ccc1F.
What is the InChIKey of N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ZYPUKWMOWGWRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S/c1-15-6-5-7-23(17(15)3)34-18(4)24(30)27-28-25(31)19-8-10-20(11-9-19)29-35(32,33)21-12-13-22(26)16(2)14-21/h5-14,18,29H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 499.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 55352046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).