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

C24H26N2O4S2 — CID 22307537

IUPAC2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1c(NCC(=O)NCCSc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4S2/c1-18-11-13-20(14-12-18)32(28,29)22-10-6-9-21(24(22)30-2)26-17-23(27)25-15-16-31-19-7-4-3-5-8-19/h3-14,26H,15-17H2,1-2H3,(H,25,27)
InChIKeyGHLSBBZUSJJARM-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.16
Rot. Bonds10

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

2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 22307537) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID22307537
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1c(NCC(=O)NCCSc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4S2/c1-18-11-13-20(14-12-18)32(28,29)22-10-6-9-21(24(22)30-2)26-17-23(27)25-15-16-31-19-7-4-3-5-8-19/h3-14,26H,15-17H2,1-2H3,(H,25,27)
InChIKeyGHLSBBZUSJJARM-UHFFFAOYSA-N
XLogP4.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
CID 22304312
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22303801
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
CID 22305132
N-(2-benzylsulfanylethyl)-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22303802
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4694822
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide (CID 22307537) is 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide is COc1c(NCC(=O)NCCSc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is GHLSBBZUSJJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-18-11-13-20(14-12-18)32(28,29)22-10-6-9-21(24(22)30-2)26-17-23(27)25-15-16-31-19-7-4-3-5-8-19/h3-14,26H,15-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide?
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 470.62 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 22307537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).