N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C17H17FN2O5S — CID 6493550

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O5S/c1-26(22,23)20(9-12-2-4-13(18)5-3-12)10-17(21)19-14-6-7-15-16(8-14)25-11-24-15/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyYJDXUVOSYRJXJA-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.95
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 6493550) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID6493550
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O5S/c1-26(22,23)20(9-12-2-4-13(18)5-3-12)10-17(21)19-14-6-7-15-16(8-14)25-11-24-15/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyYJDXUVOSYRJXJA-UHFFFAOYSA-N
XLogP1.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-1,3-benzodioxol-5-yl-N~1~-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-N~2~-(methylsulfonyl)glycinamide
CID 2231913
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
N-Benzo[1,3]dioxol-5-yl-3-[4-(2-fluoro-phenyl)-piperazin-1-yl]-propionamide
CID 656215
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
phenylmethyl 2-(N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)carbamoyl)pyrrolidinecarbo xylate
CID 2876217
US12194050, Example 9
CID 17253726
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
N-(2H-1,3-Benzodioxol-5-YL)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7422757
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-(4-methoxy-benzyl)-acetamide
CID 645309

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 6493550) is N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is YJDXUVOSYRJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-26(22,23)20(9-12-2-4-13(18)5-3-12)10-17(21)19-14-6-7-15-16(8-14)25-11-24-15/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 6493550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).