2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

C25H28N2O4S2 — CID 2899045

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-20-12-14-21(15-13-20)19-32-17-16-26-25(28)18-27(23-10-6-7-11-24(23)31-2)33(29,30)22-8-4-3-5-9-22/h3-15H,16-19H2,1-2H3,(H,26,28)
InChIKeyGIFWPRXWUFMOIC-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.25
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2899045) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2899045
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-20-12-14-21(15-13-20)19-32-17-16-26-25(28)18-27(23-10-6-7-11-24(23)31-2)33(29,30)22-8-4-3-5-9-22/h3-15H,16-19H2,1-2H3,(H,26,28)
InChIKeyGIFWPRXWUFMOIC-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.25
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-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 3617239
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1009982
N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393
Rac1-IN-5
CID 2198266
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 92481102
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-Isopropyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-3-oxo-propyl}-benzenesulfonamide
CID 654406
2-[(2-Ethoxy-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-benzyl)-acetamide
CID 655342

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (CID 2899045) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is COc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is GIFWPRXWUFMOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-20-12-14-21(15-13-20)19-32-17-16-26-25(28)18-27(23-10-6-7-11-24(23)31-2)33(29,30)22-8-4-3-5-9-22/h3-15H,16-19H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2899045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).