2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide

C16H25FN2O3S — CID 113068243

IUPAC2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCC(C)CCN(CCNC(=O)Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-13(2)8-10-19(23(3,21)22)11-9-18-16(20)12-14-6-4-5-7-15(14)17/h4-7,13H,8-12H2,1-3H3,(H,18,20)
InChIKeyOVARCMXVVLTDKJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.79
Rot. Bonds9

About 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide

2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 113068243) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID113068243
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCC(C)CCN(CCNC(=O)Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-13(2)8-10-19(23(3,21)22)11-9-18-16(20)12-14-6-4-5-7-15(14)17/h4-7,13H,8-12H2,1-3H3,(H,18,20)
InChIKeyOVARCMXVVLTDKJ-UHFFFAOYSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]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-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide (CID 113068243) is 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide is CC(C)CCN(CCNC(=O)Cc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is OVARCMXVVLTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-13(2)8-10-19(23(3,21)22)11-9-18-16(20)12-14-6-4-5-7-15(14)17/h4-7,13H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 113068243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).