N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide

C15H14FN3O3S — CID 1462949

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
SMILESO=C(CS(=O)CC(=O)Nc1cccnc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-5-12(6-4-11)18-14(20)9-23(22)10-15(21)19-13-2-1-7-17-8-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyHFHPQAOXQJHQGS-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.55
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide

N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide (PubChem CID 1462949) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
PubChem CID1462949
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
SMILESO=C(CS(=O)CC(=O)Nc1cccnc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-5-12(6-4-11)18-14(20)9-23(22)10-15(21)19-13-2-1-7-17-8-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyHFHPQAOXQJHQGS-UHFFFAOYSA-N
XLogP1.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide (CID 1462949) is N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide is O=C(CS(=O)CC(=O)Nc1cccnc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The InChIKey is HFHPQAOXQJHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-11-3-5-12(6-4-11)18-14(20)9-23(22)10-15(21)19-13-2-1-7-17-8-13/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide has a molecular weight of 335.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide is sourced from PubChem (CID 1462949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).