2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide

C20H23FN2O2S — CID 51190392

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O2S/c1-2-15(16-6-4-3-5-7-16)12-22-19(24)13-26-14-20(25)23-18-10-8-17(21)9-11-18/h3-11,15H,2,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyIOPWEGJGMHRPLB-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.81
Rot. Bonds9

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide (PubChem CID 51190392) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
PubChem CID51190392
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O2S/c1-2-15(16-6-4-3-5-7-16)12-22-19(24)13-26-14-20(25)23-18-10-8-17(21)9-11-18/h3-11,15H,2,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyIOPWEGJGMHRPLB-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55337191
(2S)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8594421
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 38639105
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55336212
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119529197
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-phenylbutyl)acetamide
CID 43017658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide (CID 51190392) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide?
The InChIKey is IOPWEGJGMHRPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-2-15(16-6-4-3-5-7-16)12-22-19(24)13-26-14-20(25)23-18-10-8-17(21)9-11-18/h3-11,15H,2,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide has a molecular weight of 374.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 51190392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).