2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide

C24H26N2O5S — CID 4237676

IUPAC2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-19-8-14-23(15-9-19)32(28,29)26(20-10-12-21(30-2)13-11-20)18-24(27)25-16-17-31-22-6-4-3-5-7-22/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyINCZIVQPYXMSOA-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.39
Rot. Bonds10

About 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide (PubChem CID 4237676) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide
PubChem CID4237676
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-19-8-14-23(15-9-19)32(28,29)26(20-10-12-21(30-2)13-11-20)18-24(27)25-16-17-31-22-6-4-3-5-7-22/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyINCZIVQPYXMSOA-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.39
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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Related Compounds

N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
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
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
1-(2-Ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 753422

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide (CID 4237676) is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide is COc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide?
The InChIKey is INCZIVQPYXMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-19-8-14-23(15-9-19)32(28,29)26(20-10-12-21(30-2)13-11-20)18-24(27)25-16-17-31-22-6-4-3-5-7-22/h3-15H,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide?
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 4237676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).