2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide

C16H16F2N2O2S2 — CID 145228359

IUPAC2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
SMILESNC(=O)COc1c(F)cc(SCCNSc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O2S2/c17-13-8-12(9-14(18)16(13)22-10-15(19)21)23-7-6-20-24-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H2,19,21)
InChIKeyOMJVNSDUUZGAAM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.22
Rot. Bonds9

About 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide

2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide (PubChem CID 145228359) has the molecular formula C16H16F2N2O2S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
PubChem CID145228359
Molecular FormulaC16H16F2N2O2S2
Molecular Weight370.45 g/mol
Exact Mass370.06
IUPAC Name2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
SMILESNC(=O)COc1c(F)cc(SCCNSc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O2S2/c17-13-8-12(9-14(18)16(13)22-10-15(19)21)23-7-6-20-24-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H2,19,21)
InChIKeyOMJVNSDUUZGAAM-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]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-[4-[2-[benzenesulfinyl(methylsulfanyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide
CID 155217672
[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]methyl acetate
CID 151450795
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
ethyl 2-[4-[2-(4-chloroanilino)ethylsulfanyl]-2,6-difluorophenoxy]acetate
CID 142633124
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
2-[4-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-2,6-difluorophenoxy]-N-methylacetamide
CID 142401733
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide
CID 10389184
2-[2,6-difluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid
CID 11757326
N-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]-2-methylpropanamide
CID 175016364
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]propanoic acid
CID 11744556

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide (CID 145228359) is 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide is NC(=O)COc1c(F)cc(SCCNSc2ccccc2)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide?
The InChIKey is OMJVNSDUUZGAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S2/c17-13-8-12(9-14(18)16(13)22-10-15(19)21)23-7-6-20-24-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H2,19,21).
What are the key properties of 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide?
2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide is sourced from PubChem (CID 145228359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).