2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C23H25N3O4S2 — CID 2275984

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25N3O4S2/c1-2-30-21-13-7-6-12-20(21)26(32(28,29)19-10-4-3-5-11-19)18-22(27)24-16-17-31-23-14-8-9-15-25-23/h3-15H,2,16-18H2,1H3,(H,24,27)
InChIKeyWZVLTZPZZOULCE-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.58
Rot. Bonds11

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

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2275984) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2275984
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25N3O4S2/c1-2-30-21-13-7-6-12-20(21)26(32(28,29)19-10-4-3-5-11-19)18-22(27)24-16-17-31-23-14-8-9-15-25-23/h3-15H,2,16-18H2,1H3,(H,24,27)
InChIKeyWZVLTZPZZOULCE-UHFFFAOYSA-N
XLogP3.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.58
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-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
2-(2-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 700335
2-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 700541
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 1243342
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267231
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 2342380
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
CID 2968767
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2275984) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is CCOc1ccccc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is WZVLTZPZZOULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-2-30-21-13-7-6-12-20(21)26(32(28,29)19-10-4-3-5-11-19)18-22(27)24-16-17-31-23-14-8-9-15-25-23/h3-15H,2,16-18H2,1H3,(H,24,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 471.60 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2275984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).