3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid

C24H24N2O5S — CID 24671753

IUPAC3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1C
InChIInChI=1S/C24H24N2O5S/c1-15-13-19(24(28)29)14-22(16(15)2)32(30,31)26-21-12-8-7-11-20(21)23(27)25-17(3)18-9-5-4-6-10-18/h4-14,17,26H,1-3H3,(H,25,27)(H,28,29)
InChIKeyZLENJWGUSIJZSP-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.29
Rot. Bonds7

About 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid

3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 24671753) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
PubChem CID24671753
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1C
InChIInChI=1S/C24H24N2O5S/c1-15-13-19(24(28)29)14-22(16(15)2)32(30,31)26-21-12-8-7-11-20(21)23(27)25-17(3)18-9-5-4-6-10-18/h4-14,17,26H,1-3H3,(H,25,27)(H,28,29)
InChIKeyZLENJWGUSIJZSP-UHFFFAOYSA-N
XLogP4.29
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid 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-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2683771
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
3-[[2-[1-(4-cyanophenyl)ethylcarbamoyl]-4-fluorophenyl]sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 166182996
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid (CID 24671753) is 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is ZLENJWGUSIJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-15-13-19(24(28)29)14-22(16(15)2)32(30,31)26-21-12-8-7-11-20(21)23(27)25-17(3)18-9-5-4-6-10-18/h4-14,17,26H,1-3H3,(H,25,27)(H,28,29).
What are the key properties of 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 452.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 24671753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).