2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide

C17H22FN3O4S — CID 53283202

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S/c1-20(2)26(23,24)21(15-9-7-14(18)8-10-15)13-17(22)19-11-3-5-16-6-4-12-25-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,19,22)
InChIKeyJUBQKJLMEUMFQL-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.78
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide (PubChem CID 53283202) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
PubChem CID53283202
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O4S/c1-20(2)26(23,24)21(15-9-7-14(18)8-10-15)13-17(22)19-11-3-5-16-6-4-12-25-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,19,22)
InChIKeyJUBQKJLMEUMFQL-UHFFFAOYSA-N
XLogP1.78
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 92664005
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 46764764
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279122
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50807906
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279273
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100588449
4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53281281
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 25470911

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide (CID 53283202) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide?
The InChIKey is JUBQKJLMEUMFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c1-20(2)26(23,24)21(15-9-7-14(18)8-10-15)13-17(22)19-11-3-5-16-6-4-12-25-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide is sourced from PubChem (CID 53283202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).