2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H21FN2O3S — CID 22307564

IUPAC2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyAGBWUBDVDDKGBH-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.40
Rot. Bonds6

About 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22307564) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22307564
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyAGBWUBDVDDKGBH-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)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

2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304436
2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304432
2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 22305356
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954413
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 22307564) is 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AGBWUBDVDDKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)13-7-9-14(10-8-13)21-17(22)11-20-16-6-4-5-15(19)18(16)25(3,23)24/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22307564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).