2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C25H28N2O5S — CID 43892469

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)COc2ccccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-9-7-8-12-24(19)32-18-20(2)26-25(28)17-27(21-13-15-22(31-3)16-14-21)33(29,30)23-10-5-4-6-11-23/h4-16,20H,17-18H2,1-3H3,(H,26,28)
InChIKeyBWSKFUAFVCAYNG-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.78
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43892469) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID43892469
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)COc2ccccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-9-7-8-12-24(19)32-18-20(2)26-25(28)17-27(21-13-15-22(31-3)16-14-21)33(29,30)23-10-5-4-6-11-23/h4-16,20H,17-18H2,1-3H3,(H,26,28)
InChIKeyBWSKFUAFVCAYNG-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897969
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894531
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897454
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894047
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902063

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 43892469) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is COc1ccc(N(CC(=O)NC(C)COc2ccccc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is BWSKFUAFVCAYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19-9-7-8-12-24(19)32-18-20(2)26-25(28)17-27(21-13-15-22(31-3)16-14-21)33(29,30)23-10-5-4-6-11-23/h4-16,20H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).