2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C21H21FN2O4S2 — CID 17313004

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C21H21FN2O4S2/c22-19-10-4-5-11-20(19)24(30(26,27)18-8-2-1-3-9-18)15-21(25)23-12-14-29-16-17-7-6-13-28-17/h1-11,13H,12,14-16H2,(H,23,25)
InChIKeyGPKPCNIWJMORDN-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.66
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 17313004) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID17313004
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C21H21FN2O4S2/c22-19-10-4-5-11-20(19)24(30(26,27)18-8-2-1-3-9-18)15-21(25)23-12-14-29-16-17-7-6-13-28-17/h1-11,13H,12,14-16H2,(H,23,25)
InChIKeyGPKPCNIWJMORDN-UHFFFAOYSA-N
XLogP3.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.66
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

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 126033153
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 2286723
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30206008
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30176489
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 30266590
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30243157
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344439
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 126172296
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034633
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 92664005
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30202137
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 17313004) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSCc1ccco1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is GPKPCNIWJMORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c22-19-10-4-5-11-20(19)24(30(26,27)18-8-2-1-3-9-18)15-21(25)23-12-14-29-16-17-7-6-13-28-17/h1-11,13H,12,14-16H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 17313004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).