2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide

C26H27FN2O4S — CID 145232219

IUPAC2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-15-5-18(6-16-23)17-24(30)28-21-11-7-19(8-12-21)26(2,3)25(31)29-22-13-9-20(27)10-14-22/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKUBGKOCHEJNDBQ-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.72
Rot. Bonds8

About 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide

2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 145232219) has the molecular formula C26H27FN2O4S and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID145232219
Molecular FormulaC26H27FN2O4S
Molecular Weight482.58 g/mol
Exact Mass482.17
IUPAC Name2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-15-5-18(6-16-23)17-24(30)28-21-11-7-19(8-12-21)26(2,3)25(31)29-22-13-9-20(27)10-14-22/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKUBGKOCHEJNDBQ-UHFFFAOYSA-N
XLogP4.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide 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-(4-{[benzyl(Propyl)amino]methyl}phenyl)-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 72193937
(R)-N-(4-Amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide
CID 168264922
N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
CID 132274777
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
2-[4-[4-(2-Anilino-2-oxo-ethyl)phenyl]phenyl]sulfonylacetic acid
CID 515147
N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-phenyl-3-(4-phenylacetylamino-phenyl)-propyl]-piperidin-4-yl}-acetamide
CID 44404640
N-{1-[3-(4-Amino-phenyl)-3-(3-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide
CID 44404656
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283712
N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283813
2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide
CID 71285767
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide (CID 145232219) is 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is KUBGKOCHEJNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-15-5-18(6-16-23)17-24(30)28-21-11-7-19(8-12-21)26(2,3)25(31)29-22-13-9-20(27)10-14-22/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide?
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 482.58 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 145232219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).