N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide

C16H15F2NO3S — CID 41145925

IUPACN-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-2-23(21,22)13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeySWVXCKQHDRXGJJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.94
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 41145925) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID41145925
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-2-23(21,22)13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeySWVXCKQHDRXGJJ-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283853
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-[4-[2-(2,4-difluorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456129
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
CID 41273162
2-(4-ethylsulfonylphenyl)-N-[5-fluoro-2-methoxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 122627283
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 122135317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 41145925) is N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is SWVXCKQHDRXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-2-23(21,22)13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 41145925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).