2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

C17H17BrFNO4S — CID 60573938

IUPAC2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1F
InChIInChI=1S/C17H17BrFNO4S/c1-24-16-6-5-12(8-15(16)19)9-20-17(21)11-25(22,23)10-13-3-2-4-14(18)7-13/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyUXZRFYBOUWRARM-UHFFFAOYSA-N
MW430.30 g/mol
LogP2.83
Rot. Bonds7

About 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (PubChem CID 60573938) has the molecular formula C17H17BrFNO4S and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
PubChem CID60573938
Molecular FormulaC17H17BrFNO4S
Molecular Weight430.30 g/mol
Exact Mass429.00
IUPAC Name2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1F
InChIInChI=1S/C17H17BrFNO4S/c1-24-16-6-5-12(8-15(16)19)9-20-17(21)11-25(22,23)10-13-3-2-4-14(18)7-13/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyUXZRFYBOUWRARM-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide
CID 55703454
N-[(3,4-dimethoxyphenyl)methyl]-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 94048113
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-(3-aminopropyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119407314
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
N'-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 4312988
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86926437

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (CID 60573938) is 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1F.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The InChIKey is UXZRFYBOUWRARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO4S/c1-24-16-6-5-12(8-15(16)19)9-20-17(21)11-25(22,23)10-13-3-2-4-14(18)7-13/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide has a molecular weight of 430.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60573938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).