2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C23H23NO5S — CID 55764756

IUPAC2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO5S/c1-24(16-18-7-6-8-20(15-18)28-2)23(25)17-29-19-11-13-22(14-12-19)30(26,27)21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3
InChIKeyRHRJORNUACOBAC-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.57
Rot. Bonds8

About 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55764756) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID55764756
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO5S/c1-24(16-18-7-6-8-20(15-18)28-2)23(25)17-29-19-11-13-22(14-12-19)30(26,27)21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3
InChIKeyRHRJORNUACOBAC-UHFFFAOYSA-N
XLogP3.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 78881152
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 55764756) is 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RHRJORNUACOBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-24(16-18-7-6-8-20(15-18)28-2)23(25)17-29-19-11-13-22(14-12-19)30(26,27)21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 425.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55764756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).