N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

C17H20FN3O3S — CID 113151614

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H20FN3O3S/c1-25(23,24)21(12-15-3-2-9-19-11-15)13-17(22)20-10-8-14-4-6-16(18)7-5-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22)
InChIKeyXZLNCNFUZFFGKA-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.34
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 113151614) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID113151614
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H20FN3O3S/c1-25(23,24)21(12-15-3-2-9-19-11-15)13-17(22)20-10-8-14-4-6-16(18)7-5-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22)
InChIKeyXZLNCNFUZFFGKA-UHFFFAOYSA-N
XLogP1.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]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-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 42111358
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (CID 113151614) is N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)Cc1cccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is XZLNCNFUZFFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-25(23,24)21(12-15-3-2-9-19-11-15)13-17(22)20-10-8-14-4-6-16(18)7-5-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).