2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide

C26H26FNO2S — CID 145231841

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H26FNO2S/c1-4-31-23-15-5-18(6-16-23)17-24(29)28-22-13-9-20(10-14-22)26(2,3)25(30)19-7-11-21(27)12-8-19/h5-16H,4,17H2,1-3H3,(H,28,29)
InChIKeyJQMQATUEVMAPAM-UHFFFAOYSA-N
MW435.56 g/mol
LogP6.28
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide (PubChem CID 145231841) has the molecular formula C26H26FNO2S and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
PubChem CID145231841
Molecular FormulaC26H26FNO2S
Molecular Weight435.56 g/mol
Exact Mass435.17
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H26FNO2S/c1-4-31-23-15-5-18(6-16-23)17-24(29)28-22-13-9-20(10-14-22)26(2,3)25(30)19-7-11-21(27)12-8-19/h5-16H,4,17H2,1-3H3,(H,28,29)
InChIKeyJQMQATUEVMAPAM-UHFFFAOYSA-N
XLogP6.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
2-(4-ethylsulfanylphenyl)-N-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-1,3-benzothiazol-6-yl]acetamide
CID 145232268
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide (CID 145231841) is 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide?
The InChIKey is JQMQATUEVMAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2S/c1-4-31-23-15-5-18(6-16-23)17-24(29)28-22-13-9-20(10-14-22)26(2,3)25(30)19-7-11-21(27)12-8-19/h5-16H,4,17H2,1-3H3,(H,28,29).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide has a molecular weight of 435.56 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide is sourced from PubChem (CID 145231841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).