N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide

C28H28F2N2O4S — CID 68511463

IUPACN-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
SMILESCC(C)CN(C(=O)C(Cc1ccc(F)cc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H28F2N2O4S/c1-20(2)19-32(25-14-12-24(30)13-15-25)28(34)26(18-22-8-10-23(29)11-9-22)27(33)31-37(35,36)17-16-21-6-4-3-5-7-21/h3-17,20,26H,18-19H2,1-2H3,(H,31,33)
InChIKeyYHRQIJMGJTYCOW-UHFFFAOYSA-N
MW526.61 g/mol
LogP4.93
Rot. Bonds10

About N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide (PubChem CID 68511463) has the molecular formula C28H28F2N2O4S and a molecular weight of 526.61 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
PubChem CID68511463
Molecular FormulaC28H28F2N2O4S
Molecular Weight526.61 g/mol
Exact Mass526.17
IUPAC NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
SMILESCC(C)CN(C(=O)C(Cc1ccc(F)cc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H28F2N2O4S/c1-20(2)19-32(25-14-12-24(30)13-15-25)28(34)26(18-22-8-10-23(29)11-9-22)27(33)31-37(35,36)17-16-21-6-4-3-5-7-21/h3-17,20,26H,18-19H2,1-2H3,(H,31,33)
InChIKeyYHRQIJMGJTYCOW-UHFFFAOYSA-N
XLogP4.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide 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-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-pentan-3-yl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68506234
4-[2-[ethyl(phenyl)carbamoyl]-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propyl]benzoic acid
CID 68505367
2-[(3-cyanophenyl)methyl]-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506196
N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
CID 68512049
2-(2-cyanoethyl)-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68510500
2-(cyanomethyl)-N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507368
N-ethyl-2-[(4-methoxy-3-nitrophenyl)methyl]-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507266
N-ethyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 68510437
N-benzyl-2-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506045
N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
CID 103598013
N-(4-fluorophenyl)-2-(2-methylpropyl)-N-propan-2-yl-N'-[2-(1,3-thiazol-2-yl)ethenylsulfonyl]propanediamide
CID 68504031
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide (CID 68511463) is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide is CC(C)CN(C(=O)C(Cc1ccc(F)cc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide?
The InChIKey is YHRQIJMGJTYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O4S/c1-20(2)19-32(25-14-12-24(30)13-15-25)28(34)26(18-22-8-10-23(29)11-9-22)27(33)31-37(35,36)17-16-21-6-4-3-5-7-21/h3-17,20,26H,18-19H2,1-2H3,(H,31,33).
What are the key properties of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide?
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide has a molecular weight of 526.61 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide is sourced from PubChem (CID 68511463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).