N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide

C17H17FN2O4S — CID 39076339

IUPACN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
SMILESCN(C(=O)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O4S/c1-20(15-5-3-2-4-6-15)17(22)12-25(23,24)11-16(21)19-14-9-7-13(18)8-10-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyVYOKCQWJBLZBSN-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.84
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide

N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide (PubChem CID 39076339) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
PubChem CID39076339
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
SMILESCN(C(=O)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O4S/c1-20(15-5-3-2-4-6-15)17(22)12-25(23,24)11-16(21)19-14-9-7-13(18)8-10-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyVYOKCQWJBLZBSN-UHFFFAOYSA-N
XLogP1.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
CID 86760390
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076137
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide (CID 39076339) is N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide is CN(C(=O)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide?
The InChIKey is VYOKCQWJBLZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-20(15-5-3-2-4-6-15)17(22)12-25(23,24)11-16(21)19-14-9-7-13(18)8-10-14/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide?
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide has a molecular weight of 364.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 39076339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).