N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide

C18H18F2N2O2S — CID 24980003

IUPACN-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccccc1
InChIInChI=1S/C18H18F2N2O2S/c1-2-22(17(24)12-25-13-7-4-3-5-8-13)11-16(23)21-18-14(19)9-6-10-15(18)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyFGMCQUPBCXRLHW-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.54
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide (PubChem CID 24980003) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
PubChem CID24980003
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccccc1
InChIInChI=1S/C18H18F2N2O2S/c1-2-22(17(24)12-25-13-7-4-3-5-8-13)11-16(23)21-18-14(19)9-6-10-15(18)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyFGMCQUPBCXRLHW-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide (CID 24980003) is N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccccc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The InChIKey is FGMCQUPBCXRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-2-22(17(24)12-25-13-7-4-3-5-8-13)11-16(23)21-18-14(19)9-6-10-15(18)20/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 24980003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).