N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide

C22H24N2O5S — CID 2381602

IUPACN-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCOCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O5S/c1-24(30(26,27)21-12-7-17-5-3-4-6-18(17)15-21)19-8-10-20(11-9-19)29-16-22(25)23-13-14-28-2/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyMULZMAAEXYKMCM-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.81
Rot. Bonds9

About N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide

N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 2381602) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID2381602
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCOCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O5S/c1-24(30(26,27)21-12-7-17-5-3-4-6-18(17)15-21)19-8-10-20(11-9-19)29-16-22(25)23-13-14-28-2/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyMULZMAAEXYKMCM-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 2381602) is N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide is COCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is MULZMAAEXYKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-24(30(26,27)21-12-7-17-5-3-4-6-18(17)15-21)19-8-10-20(11-9-19)29-16-22(25)23-13-14-28-2/h3-12,15H,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 428.51 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 2381602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).