N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C21H20F2N2O3S3 — CID 30272230

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F
InChIInChI=1S/C21H20F2N2O3S3/c22-17-7-2-1-6-16(17)15-29-13-11-24-20(26)14-25(19-9-4-3-8-18(19)23)31(27,28)21-10-5-12-30-21/h1-10,12H,11,13-15H2,(H,24,26)
InChIKeyWSRKARPFYBJFIB-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.27
Rot. Bonds10

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30272230) has the molecular formula C21H20F2N2O3S3 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30272230
Molecular FormulaC21H20F2N2O3S3
Molecular Weight482.60 g/mol
Exact Mass482.06
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F
InChIInChI=1S/C21H20F2N2O3S3/c22-17-7-2-1-6-16(17)15-29-13-11-24-20(26)14-25(19-9-4-3-8-18(19)23)31(27,28)21-10-5-12-30-21/h1-10,12H,11,13-15H2,(H,24,26)
InChIKeyWSRKARPFYBJFIB-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272234
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278173
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265451
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344439
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 30272225
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30272230) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is WSRKARPFYBJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3S3/c22-17-7-2-1-6-16(17)15-29-13-11-24-20(26)14-25(19-9-4-3-8-18(19)23)31(27,28)21-10-5-12-30-21/h1-10,12H,11,13-15H2,(H,24,26).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30272230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).