N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide

C14H11ClF2N2O2S — CID 16530304

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2O2S/c15-10-7-9(4-5-11(10)21-14(16)17)19-12(20)8-22-13-3-1-2-6-18-13/h1-7,14H,8H2,(H,19,20)
InChIKeyBKPMWFBUZWUFJH-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.07
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 16530304) has the molecular formula C14H11ClF2N2O2S and a molecular weight of 344.77 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID16530304
Molecular FormulaC14H11ClF2N2O2S
Molecular Weight344.77 g/mol
Exact Mass344.02
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2O2S/c15-10-7-9(4-5-11(10)21-14(16)17)19-12(20)8-22-13-3-1-2-6-18-13/h1-7,14H,8H2,(H,19,20)
InChIKeyBKPMWFBUZWUFJH-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide 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-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 16530304) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is BKPMWFBUZWUFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2S/c15-10-7-9(4-5-11(10)21-14(16)17)19-12(20)8-22-13-3-1-2-6-18-13/h1-7,14H,8H2,(H,19,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 344.77 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 16530304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).