2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate

C24H24N2O5S — CID 2333167

IUPAC2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCOC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O5S/c1-26(2)32(29,30)22-10-6-9-21(17-22)23(27)25-15-16-31-24(28)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-14,17H,15-16H2,1-2H3,(H,25,27)
InChIKeyCWZNOXYFBJOYSV-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.19
Rot. Bonds8

About 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate

2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate (PubChem CID 2333167) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate
PubChem CID2333167
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCOC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O5S/c1-26(2)32(29,30)22-10-6-9-21(17-22)23(27)25-15-16-31-24(28)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-14,17H,15-16H2,1-2H3,(H,25,27)
InChIKeyCWZNOXYFBJOYSV-UHFFFAOYSA-N
XLogP3.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
(4-butoxycarbonylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 8802721
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate (CID 2333167) is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate is CN(C)S(=O)(=O)c1cccc(C(=O)NCCOC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate?
The InChIKey is CWZNOXYFBJOYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-26(2)32(29,30)22-10-6-9-21(17-22)23(27)25-15-16-31-24(28)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-14,17H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate?
2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate has a molecular weight of 452.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate is sourced from PubChem (CID 2333167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).