2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide

C20H22FNO2S — CID 145232045

IUPAC2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C=O)c(F)c2)cc1
InChIInChI=1S/C20H22FNO2S/c1-4-25-16-8-5-14(6-9-16)11-19(24)22-15-7-10-17(18(21)12-15)20(2,3)13-23/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)
InChIKeySOAMRUWRNPFZMY-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.60
Rot. Bonds7

About 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide (PubChem CID 145232045) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
PubChem CID145232045
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C=O)c(F)c2)cc1
InChIInChI=1S/C20H22FNO2S/c1-4-25-16-8-5-14(6-9-16)11-19(24)22-15-7-10-17(18(21)12-15)20(2,3)13-23/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)
InChIKeySOAMRUWRNPFZMY-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196889
N-[4-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232132
2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
CID 145231841
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 175900031
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
CID 144539996
N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232101
chloromethane;2-(5-ethylsulfanyl-2-pyridinyl)-N-[4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide;2,4,5-trifluoro-N-methylaniline
CID 145232126
N-[4-(1,1-difluoro-2-oxoethyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide;(3E)-N-methylhexa-1,3,5-trien-3-amine
CID 145231935

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide (CID 145232045) is 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(C(C)(C)C=O)c(F)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide?
The InChIKey is SOAMRUWRNPFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2S/c1-4-25-16-8-5-14(6-9-16)11-19(24)22-15-7-10-17(18(21)12-15)20(2,3)13-23/h5-10,12-13H,4,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 145232045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).