N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide

C19H17NO4S — CID 1266233

IUPACN-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c1-24-17-9-7-16(8-10-17)20-19(21)13-25(22,23)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,20,21)
InChIKeyNOSGHRUVKMSTRY-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.26
Rot. Bonds5

About N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide

N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 1266233) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID1266233
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c1-24-17-9-7-16(8-10-17)20-19(21)13-25(22,23)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,20,21)
InChIKeyNOSGHRUVKMSTRY-UHFFFAOYSA-N
XLogP3.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide (CID 1266233) is N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is NOSGHRUVKMSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-24-17-9-7-16(8-10-17)20-19(21)13-25(22,23)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide?
N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 1266233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).