N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide

C17H17FN2O4S — CID 39083624

IUPACN-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H17FN2O4S/c18-14-6-8-15(9-7-14)20-17(22)12-25(23,24)11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyYEGAPDKIKXLPGB-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.50
Rot. Bonds7

About N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide

N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide (PubChem CID 39083624) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
PubChem CID39083624
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H17FN2O4S/c18-14-6-8-15(9-7-14)20-17(22)12-25(23,24)11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyYEGAPDKIKXLPGB-UHFFFAOYSA-N
XLogP1.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083640
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 38639105
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
CID 39083783
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide (CID 39083624) is N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide is O=C(CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The InChIKey is YEGAPDKIKXLPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-6-8-15(9-7-14)20-17(22)12-25(23,24)11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide has a molecular weight of 364.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 39083624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).