N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide

C19H21FN2O4S — CID 113071036

IUPACN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-14(23)16-5-9-18(10-6-16)22(27(2,25)26)12-11-21-19(24)13-15-3-7-17(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyQQWDEAMCQJUMRY-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.15
Rot. Bonds8

About N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113071036) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113071036
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-14(23)16-5-9-18(10-6-16)22(27(2,25)26)12-11-21-19(24)13-15-3-7-17(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyQQWDEAMCQJUMRY-UHFFFAOYSA-N
XLogP2.15
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)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-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide (CID 113071036) is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide is CC(=O)c1ccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is QQWDEAMCQJUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-14(23)16-5-9-18(10-6-16)22(27(2,25)26)12-11-21-19(24)13-15-3-7-17(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 392.45 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113071036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).