2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide

C18H21FN2O3S — CID 17443267

IUPAC2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-21(12-14-5-4-6-15(19)11-14)13-18(22)20-16-7-9-17(10-8-16)25(2,23)24/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJPGJTBLBMBJBAA-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.69
Rot. Bonds7

About 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide

2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 17443267) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID17443267
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-21(12-14-5-4-6-15(19)11-14)13-18(22)20-16-7-9-17(10-8-16)25(2,23)24/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJPGJTBLBMBJBAA-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)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-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[benzyl(ethyl)amino]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8533359
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18088803
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27871672
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41375343
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
CID 26649782
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785624

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide (CID 17443267) is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide is CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is JPGJTBLBMBJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-21(12-14-5-4-6-15(19)11-14)13-18(22)20-16-7-9-17(10-8-16)25(2,23)24/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 17443267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).