N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide

C20H18BrNO5S — CID 155551863

IUPACN-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3cc(C)cc(Br)c3)cc2c1
InChIInChI=1S/C20H18BrNO5S/c1-13-7-16(21)11-19(8-13)28(24,25)22-20(23)12-27-18-6-4-14-3-5-17(26-2)9-15(14)10-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyCLBZOGCIJMRQIE-UHFFFAOYSA-N
MW464.34 g/mol
LogP3.80
Rot. Bonds6

About N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide

N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide (PubChem CID 155551863) has the molecular formula C20H18BrNO5S and a molecular weight of 464.34 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
PubChem CID155551863
Molecular FormulaC20H18BrNO5S
Molecular Weight464.34 g/mol
Exact Mass463.01
IUPAC NameN-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3cc(C)cc(Br)c3)cc2c1
InChIInChI=1S/C20H18BrNO5S/c1-13-7-16(21)11-19(8-13)28(24,25)22-20(23)12-27-18-6-4-14-3-5-17(26-2)9-15(14)10-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyCLBZOGCIJMRQIE-UHFFFAOYSA-N
XLogP3.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
CID 155554098
N-(3,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652726
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-[3-[5-fluoro-1-[7-[2-[[3-(furan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethoxy]naphthalen-2-yl]pyridin-1-ium-3-yl]-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide
CID 156858991
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea
CID 171665813
2-(4-methoxyphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 75415184
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide (CID 155551863) is N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide is COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3cc(C)cc(Br)c3)cc2c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The InChIKey is CLBZOGCIJMRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO5S/c1-13-7-16(21)11-19(8-13)28(24,25)22-20(23)12-27-18-6-4-14-3-5-17(26-2)9-15(14)10-18/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide has a molecular weight of 464.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 155551863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).