2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

C20H23BrF2N2O4S — CID 24785186

IUPAC2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCC(C)(C)c1cc(Br)c(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1F
InChIInChI=1S/C20H23BrF2N2O4S/c1-20(2,3)13-8-14(21)18(9-15(13)22)29-11-19(26)24-10-12-5-6-17(16(23)7-12)25-30(4,27)28/h5-9,25H,10-11H2,1-4H3,(H,24,26)
InChIKeyFUUDTYBTTQFIPQ-UHFFFAOYSA-N
MW505.38 g/mol
LogP4.09
Rot. Bonds7

About 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (PubChem CID 24785186) has the molecular formula C20H23BrF2N2O4S and a molecular weight of 505.38 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
PubChem CID24785186
Molecular FormulaC20H23BrF2N2O4S
Molecular Weight505.38 g/mol
Exact Mass504.05
IUPAC Name2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCC(C)(C)c1cc(Br)c(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1F
InChIInChI=1S/C20H23BrF2N2O4S/c1-20(2,3)13-8-14(21)18(9-15(13)22)29-11-19(26)24-10-12-5-6-17(16(23)7-12)25-30(4,27)28/h5-9,25H,10-11H2,1-4H3,(H,24,26)
InChIKeyFUUDTYBTTQFIPQ-UHFFFAOYSA-N
XLogP4.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[4-tert-butyl-2-(trifluoromethyl)phenoxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69404959
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 71156789
3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
CID 44574354
1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 11625640
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[6-(fluoromethyl)-3-pyridinyl]oxy]acetamide
CID 70828100
2-(4-tert-butylphenyl)sulfanyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69383229
2-[(4,4-dimethyl-2,3-dihydrochromen-7-yl)oxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 21097453
2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92671676
2-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]ethanethioamide
CID 11855579
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(2-phenylethyl)thiourea
CID 10156688
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (CID 24785186) is 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is CC(C)(C)c1cc(Br)c(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1F.
What is the InChIKey of 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The InChIKey is FUUDTYBTTQFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrF2N2O4S/c1-20(2,3)13-8-14(21)18(9-15(13)22)29-11-19(26)24-10-12-5-6-17(16(23)7-12)25-30(4,27)28/h5-9,25H,10-11H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide has a molecular weight of 505.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butyl-5-fluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is sourced from PubChem (CID 24785186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).