2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide

C24H26N2O5S2 — CID 2213888

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S2/c1-30-22-14-13-19(17-23(22)31-2)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyLBKOOCXRYSUXRK-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.81
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2213888) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2213888
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S2/c1-30-22-14-13-19(17-23(22)31-2)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyLBKOOCXRYSUXRK-UHFFFAOYSA-N
XLogP3.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[(methylsulfonyl)phenylamino]propanami de
CID 3151136
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(3-oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-acetamide
CID 645878
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 982218
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(3,4-dimethoxyphenyl)acetamide
CID 1006525
N-1,3-benzodioxol-5-yl-N~2~-(2-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 1076329
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide (CID 2213888) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide is COc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is LBKOOCXRYSUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-30-22-14-13-19(17-23(22)31-2)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h3-14,17H,15-16,18H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 486.62 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2213888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).