N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide

C23H23NO5S — CID 19218157

IUPACN-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-8-7-11-22(18(17)2)29-16-23(25)24(19-12-14-20(28-3)15-13-19)30(26,27)21-9-5-4-6-10-21/h4-15H,16H2,1-3H3
InChIKeyBIWHVYHTRNWBSO-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.11
Rot. Bonds7

About N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide

N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 19218157) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID19218157
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC NameN-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-8-7-11-22(18(17)2)29-16-23(25)24(19-12-14-20(28-3)15-13-19)30(26,27)21-9-5-4-6-10-21/h4-15H,16H2,1-3H3
InChIKeyBIWHVYHTRNWBSO-UHFFFAOYSA-N
XLogP4.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
CID 19217816
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217758
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
N-(benzenesulfonyl)-4-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19219241

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide (CID 19218157) is N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is BIWHVYHTRNWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-8-7-11-22(18(17)2)29-16-23(25)24(19-12-14-20(28-3)15-13-19)30(26,27)21-9-5-4-6-10-21/h4-15H,16H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide?
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19218157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).