N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

C18H18F2N2O2S — CID 9439211

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2S/c1-22(12-17(23)21-15-4-2-3-14(20)11-15)18(24)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,21,23)
InChIKeyLYIXTSIMZGWOCZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 9439211) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID9439211
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2S/c1-22(12-17(23)21-15-4-2-3-14(20)11-15)18(24)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,21,23)
InChIKeyLYIXTSIMZGWOCZ-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Phenylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 817623
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
CID 2930050
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 3227527
N-(sec-butyl)-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3424085
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253429
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
2-[Cyclohexyl(methyl)amino]-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4965445
N-(tert-Butylcarbamoyl-methyl)-2-[(4-fluoro-phenylcarbamoyl)-methanesulfinyl]-N-phenyl-acetamide
CID 649456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 9439211) is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is LYIXTSIMZGWOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-22(12-17(23)21-15-4-2-3-14(20)11-15)18(24)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 364.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 9439211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).