2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C19H20ClFN2O3S — CID 78665232

IUPAC2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-2-23(14-19(24)22-13-16-5-9-18(21)10-6-16)27(25,26)12-11-15-3-7-17(20)8-4-15/h3-12H,2,13-14H2,1H3,(H,22,24)
InChIKeyNLFVHSDNBYKUKA-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.42
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 78665232) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID78665232
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-2-23(14-19(24)22-13-16-5-9-18(21)10-6-16)27(25,26)12-11-15-3-7-17(20)8-4-15/h3-12H,2,13-14H2,1H3,(H,22,24)
InChIKeyNLFVHSDNBYKUKA-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide 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)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2548931
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28546581
2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 30328734
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-[(4-fluorophenyl)methyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148070
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 78665232) is 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NLFVHSDNBYKUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-2-23(14-19(24)22-13-16-5-9-18(21)10-6-16)27(25,26)12-11-15-3-7-17(20)8-4-15/h3-12H,2,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 410.90 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 78665232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).