2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C22H23N3O4S2 — CID 3144151

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-9-7-8-18(16-19)25(31(27,28)20-10-3-2-4-11-20)17-21(26)23-14-15-30-22-12-5-6-13-24-22/h2-13,16H,14-15,17H2,1H3,(H,23,26)
InChIKeyQRRQDSVBKIMTNU-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.19
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 3144151) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID3144151
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-9-7-8-18(16-19)25(31(27,28)20-10-3-2-4-11-20)17-21(26)23-14-15-30-22-12-5-6-13-24-22/h2-13,16H,14-15,17H2,1H3,(H,23,26)
InChIKeyQRRQDSVBKIMTNU-UHFFFAOYSA-N
XLogP3.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.19
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

N-(1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl)pyridine-3-sulfonamide
CID 16822419
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-{2,5-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(pyridin-4-ylmethyl)acetamide
CID 1000896
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267231
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 2341783
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 5252965
2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 5308619

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 3144151) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is COc1cccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is QRRQDSVBKIMTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-19-9-7-8-18(16-19)25(31(27,28)20-10-3-2-4-11-20)17-21(26)23-14-15-30-22-12-5-6-13-24-22/h2-13,16H,14-15,17H2,1H3,(H,23,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 3144151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).