N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide

C16H17FN2O4S — CID 167937742

IUPACN-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide
SMILESCOC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2O4S/c1-23-15(13-3-2-9-18-11-13)16(20)19-24(21,22)10-8-12-4-6-14(17)7-5-12/h2-7,9,11,15H,8,10H2,1H3,(H,19,20)
InChIKeyINEXHJAEPNJZHD-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide

N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide (PubChem CID 167937742) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide
PubChem CID167937742
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide
SMILESCOC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2O4S/c1-23-15(13-3-2-9-18-11-13)16(20)19-24(21,22)10-8-12-4-6-14(17)7-5-12/h2-7,9,11,15H,8,10H2,1H3,(H,19,20)
InChIKeyINEXHJAEPNJZHD-UHFFFAOYSA-N
XLogP1.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide 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

(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
2-methoxy-2-phenyl-N-(pyridin-2-ylmethylsulfonyl)acetamide
CID 167984020
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide (CID 167937742) is N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide is COC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide?
The InChIKey is INEXHJAEPNJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-15(13-3-2-9-18-11-13)16(20)19-24(21,22)10-8-12-4-6-14(17)7-5-12/h2-7,9,11,15H,8,10H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide?
N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide has a molecular weight of 352.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-methoxy-2-pyridin-3-ylacetamide is sourced from PubChem (CID 167937742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).