N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

C19H16BrNO4S — CID 155554098

IUPACN-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(Br)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16BrNO4S/c1-13-8-16(20)11-18(9-13)26(23,24)21-19(22)12-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyOVXAINRWHSHPAS-UHFFFAOYSA-N
MW434.31 g/mol
LogP3.79
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (PubChem CID 155554098) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
PubChem CID155554098
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC NameN-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(Br)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16BrNO4S/c1-13-8-16(20)11-18(9-13)26(23,24)21-19(22)12-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyOVXAINRWHSHPAS-UHFFFAOYSA-N
XLogP3.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 155551863
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
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
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N-(3,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652726
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4745418

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (CID 155554098) is N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is Cc1cc(Br)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is OVXAINRWHSHPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c1-13-8-16(20)11-18(9-13)26(23,24)21-19(22)12-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 434.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 155554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).