2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide

C22H19BrFNO4S — CID 112826367

IUPAC2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19BrFNO4S/c23-18-8-4-17(5-9-18)14-30(27,28)15-22(26)25-20-2-1-3-21(12-20)29-13-16-6-10-19(24)11-7-16/h1-12H,13-15H2,(H,25,26)
InChIKeyQZGQHKPIPQDEIJ-UHFFFAOYSA-N
MW492.37 g/mol
LogP4.72
Rot. Bonds8

About 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide

2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (PubChem CID 112826367) has the molecular formula C22H19BrFNO4S and a molecular weight of 492.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
PubChem CID112826367
Molecular FormulaC22H19BrFNO4S
Molecular Weight492.37 g/mol
Exact Mass491.02
IUPAC Name2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19BrFNO4S/c23-18-8-4-17(5-9-18)14-30(27,28)15-22(26)25-20-2-1-3-21(12-20)29-13-16-6-10-19(24)11-7-16/h1-12H,13-15H2,(H,25,26)
InChIKeyQZGQHKPIPQDEIJ-UHFFFAOYSA-N
XLogP4.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 119713956
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
2-[(4-bromophenyl)methylsulfonyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 112826325
2-[(4-bromophenyl)methylsulfonyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
CID 75406107
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 51119178
5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
CID 75455691
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (CID 112826367) is 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The InChIKey is QZGQHKPIPQDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFNO4S/c23-18-8-4-17(5-9-18)14-30(27,28)15-22(26)25-20-2-1-3-21(12-20)29-13-16-6-10-19(24)11-7-16/h1-12H,13-15H2,(H,25,26).
What are the key properties of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide has a molecular weight of 492.37 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 112826367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).