2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 2288018

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-8-14-22(15-9-19)33(29,30)27(23-6-4-5-7-24(23)32-3)18-25(28)26-17-16-20-10-12-21(31-2)13-11-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyUJRWYSPUBHPXOL-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.57
Rot. Bonds10

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2288018) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2288018
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-19-8-14-22(15-9-19)33(29,30)27(23-6-4-5-7-24(23)32-3)18-25(28)26-17-16-20-10-12-21(31-2)13-11-20/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyUJRWYSPUBHPXOL-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508697
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508698
2-[N-[(3,4-dimethoxyphenyl)methyl]anilino]-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]acetamide
CID 513422
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808
N-[2-methoxy-4-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 16247590
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2-ethoxyphenyl)benzenesulfonamide
CID 1129490
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2288018) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UJRWYSPUBHPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19-8-14-22(15-9-19)33(29,30)27(23-6-4-5-7-24(23)32-3)18-25(28)26-17-16-20-10-12-21(31-2)13-11-20/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2288018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).