4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide

C24H22F2N2O2S — CID 39084029

IUPAC4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(CSCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22F2N2O2S/c25-20-7-3-17(4-8-20)13-14-27-24(30)19-5-1-18(2-6-19)15-31-16-23(29)28-22-11-9-21(26)10-12-22/h1-12H,13-16H2,(H,27,30)(H,28,29)
InChIKeyNFYOZEKNUQOMDB-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.81
Rot. Bonds9

About 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide

4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 39084029) has the molecular formula C24H22F2N2O2S and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID39084029
Molecular FormulaC24H22F2N2O2S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(CSCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22F2N2O2S/c25-20-7-3-17(4-8-20)13-14-27-24(30)19-5-1-18(2-6-19)15-31-16-23(29)28-22-11-9-21(26)10-12-22/h1-12H,13-16H2,(H,27,30)(H,28,29)
InChIKeyNFYOZEKNUQOMDB-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
CID 39083980
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
CID 39083981
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 39083948
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 39084029) is 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(CSCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is NFYOZEKNUQOMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2S/c25-20-7-3-17(4-8-20)13-14-27-24(30)19-5-1-18(2-6-19)15-31-16-23(29)28-22-11-9-21(26)10-12-22/h1-12H,13-16H2,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 39084029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).