2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C17H22FN3O4S2 — CID 92664005

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S2/c1-20(2)27(23,24)21(15-7-5-14(18)6-8-15)12-17(22)19-9-11-26-13-16-4-3-10-25-16/h3-8,10H,9,11-13H2,1-2H3,(H,19,22)
InChIKeyDUAAVZYPQGPANQ-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.08
Rot. Bonds10

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 92664005) has the molecular formula C17H22FN3O4S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID92664005
Molecular FormulaC17H22FN3O4S2
Molecular Weight415.51 g/mol
Exact Mass415.10
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S2/c1-20(2)27(23,24)21(15-7-5-14(18)6-8-15)12-17(22)19-9-11-26-13-16-4-3-10-25-16/h3-8,10H,9,11-13H2,1-2H3,(H,19,22)
InChIKeyDUAAVZYPQGPANQ-UHFFFAOYSA-N
XLogP2.08
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.08
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-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 30266590
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 2286723
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 17313004
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30245927
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 126172296
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113796
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 3154152
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217869
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30176489
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30221102

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 92664005) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is DUAAVZYPQGPANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S2/c1-20(2)27(23,24)21(15-7-5-14(18)6-8-15)12-17(22)19-9-11-26-13-16-4-3-10-25-16/h3-8,10H,9,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 415.51 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 92664005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).