3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide

C24H25FN2O5S — CID 3435303

IUPAC3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2F)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-16-5-4-6-19(13-16)27-24(28)18-8-9-20(25)23(15-18)33(29,30)26-12-11-17-7-10-21(31-2)22(14-17)32-3/h4-10,13-15,26H,11-12H2,1-3H3,(H,27,28)
InChIKeyRLAIBIKVLNWRLO-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.92
Rot. Bonds9

About 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide

3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 3435303) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
PubChem CID3435303
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2F)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-16-5-4-6-19(13-16)27-24(28)18-8-9-20(25)23(15-18)33(29,30)26-12-11-17-7-10-21(31-2)22(14-17)32-3/h4-10,13-15,26H,11-12H2,1-3H3,(H,27,28)
InChIKeyRLAIBIKVLNWRLO-UHFFFAOYSA-N
XLogP3.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide 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-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
4-(tert-butylamino)-3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid
CID 99979525
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
CID 17469437
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide (CID 3435303) is 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide is COc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2F)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is RLAIBIKVLNWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-16-5-4-6-19(13-16)27-24(28)18-8-9-20(25)23(15-18)33(29,30)26-12-11-17-7-10-21(31-2)22(14-17)32-3/h4-10,13-15,26H,11-12H2,1-3H3,(H,27,28).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide?
3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 472.54 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 3435303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).