2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide

C25H28N2O4S2 — CID 30248258

IUPAC2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCSc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-33(29,30)27(19-25(28)26-17-8-18-32-24-11-6-3-7-12-24)22-13-15-23(16-14-22)31-20-21-9-4-2-5-10-21/h2-7,9-16H,8,17-20H2,1H3,(H,26,28)
InChIKeyMTUYXSSXWKNUMY-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.33
Rot. Bonds12

About 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 30248258) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID30248258
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCSc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-33(29,30)27(19-25(28)26-17-8-18-32-24-11-6-3-7-12-24)22-13-15-23(16-14-22)31-20-21-9-4-2-5-10-21/h2-7,9-16H,8,17-20H2,1H3,(H,26,28)
InChIKeyMTUYXSSXWKNUMY-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.33
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-[(2-methylphenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248283
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30253967
N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898643
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 30223775
N-(3-cyclohexyloxypropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248301
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217353
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonylanilino)acetamide
CID 30217365
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30203542

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide (CID 30248258) is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCCSc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is MTUYXSSXWKNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-33(29,30)27(19-25(28)26-17-8-18-32-24-11-6-3-7-12-24)22-13-15-23(16-14-22)31-20-21-9-4-2-5-10-21/h2-7,9-16H,8,17-20H2,1H3,(H,26,28).
What are the key properties of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide?
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 30248258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).