2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide

C17H18F2N2O3S3 — CID 155217672

IUPAC2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide
SMILESCSN(CCSc1cc(F)c(OCC(N)=O)c(F)c1)S(=O)c1ccccc1
InChIInChI=1S/C17H18F2N2O3S3/c1-25-21(27(23)13-5-3-2-4-6-13)7-8-26-12-9-14(18)17(15(19)10-12)24-11-16(20)22/h2-6,9-10H,7-8,11H2,1H3,(H2,20,22)
InChIKeyJIXTXKJZFGTCDJ-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.22
Rot. Bonds10

About 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide

2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide (PubChem CID 155217672) has the molecular formula C17H18F2N2O3S3 and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide
PubChem CID155217672
Molecular FormulaC17H18F2N2O3S3
Molecular Weight432.54 g/mol
Exact Mass432.04
IUPAC Name2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide
SMILESCSN(CCSc1cc(F)c(OCC(N)=O)c(F)c1)S(=O)c1ccccc1
InChIInChI=1S/C17H18F2N2O3S3/c1-25-21(27(23)13-5-3-2-4-6-13)7-8-26-12-9-14(18)17(15(19)10-12)24-11-16(20)22/h2-6,9-10H,7-8,11H2,1H3,(H2,20,22)
InChIKeyJIXTXKJZFGTCDJ-UHFFFAOYSA-N
XLogP3.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]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-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
CID 145228359
2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide
CID 142401733
2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
CID 78993194
ethyl 2-[4-[2-(4-chloroanilino)ethylsulfanyl]-2,6-difluorophenoxy]acetate
CID 142633124
[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]methyl acetate
CID 151450795
2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962175
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120
2-[2,6-difluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid
CID 11757326
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide?
The IUPAC name of 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide (CID 155217672) is 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide?
The canonical SMILES for 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide is CSN(CCSc1cc(F)c(OCC(N)=O)c(F)c1)S(=O)c1ccccc1.
What is the InChIKey of 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide?
The InChIKey is JIXTXKJZFGTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S3/c1-25-21(27(23)13-5-3-2-4-6-13)7-8-26-12-9-14(18)17(15(19)10-12)24-11-16(20)22/h2-6,9-10H,7-8,11H2,1H3,(H2,20,22).
What are the key properties of 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide?
2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide is sourced from PubChem (CID 155217672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).