2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide

C18H17BrF3NO4S — CID 60622628

IUPAC2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrF3NO4S/c1-17(2,11-4-6-12(19)7-5-11)16(24)23-14-10-13(8-9-15(14)27-3)28(25,26)18(20,21)22/h4-10H,1-3H3,(H,23,24)
InChIKeyUHKBOUZSSLNOJQ-UHFFFAOYSA-N
MW480.30 g/mol
LogP4.67
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide

2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide (PubChem CID 60622628) has the molecular formula C18H17BrF3NO4S and a molecular weight of 480.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
PubChem CID60622628
Molecular FormulaC18H17BrF3NO4S
Molecular Weight480.30 g/mol
Exact Mass479.00
IUPAC Name2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrF3NO4S/c1-17(2,11-4-6-12(19)7-5-11)16(24)23-14-10-13(8-9-15(14)27-3)28(25,26)18(20,21)22/h4-10H,1-3H3,(H,23,24)
InChIKeyUHKBOUZSSLNOJQ-UHFFFAOYSA-N
XLogP4.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
CID 112826811
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250
N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-3,4-dimethylbenzamide
CID 60617975
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
CID 62499252
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
CID 82725075
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 87305835
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide (CID 60622628) is 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide is COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide?
The InChIKey is UHKBOUZSSLNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3NO4S/c1-17(2,11-4-6-12(19)7-5-11)16(24)23-14-10-13(8-9-15(14)27-3)28(25,26)18(20,21)22/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide has a molecular weight of 480.30 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 60622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).