2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C25H28N2O4S2 — CID 2896407

IUPAC2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S2/c1-19-7-11-23(12-8-19)32-16-15-26-25(28)18-27(21-5-4-6-22(17-21)31-3)33(29,30)24-13-9-20(2)10-14-24/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyIZGLRDKWIMYTOL-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.42
Rot. Bonds10

About 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 2896407) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID2896407
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S2/c1-19-7-11-23(12-8-19)32-16-15-26-25(28)18-27(21-5-4-6-22(17-21)31-3)33(29,30)24-13-9-20(2)10-14-24/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyIZGLRDKWIMYTOL-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.42
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

2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2287556
N-(2-tert-butylsulfanylethyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2290295
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 30263009
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344104
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215524
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880679
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51344863
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)acetamide
CID 51344306
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30215519
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30213817
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51343725

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 2896407) is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is COc1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is IZGLRDKWIMYTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-19-7-11-23(12-8-19)32-16-15-26-25(28)18-27(21-5-4-6-22(17-21)31-3)33(29,30)24-13-9-20(2)10-14-24/h4-14,17H,15-16,18H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 2896407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).