2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C18H23N3O4S2 — CID 2262203

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S2/c1-3-25-16-9-7-15(8-10-16)21(27(2,23)24)14-17(22)19-12-13-26-18-6-4-5-11-20-18/h4-11H,3,12-14H2,1-2H3,(H,19,22)
InChIKeyWZPZUDSKCKRURX-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.15
Rot. Bonds10

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2262203) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2262203
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S2/c1-3-25-16-9-7-15(8-10-16)21(27(2,23)24)14-17(22)19-12-13-26-18-6-4-5-11-20-18/h4-11H,3,12-14H2,1-2H3,(H,19,22)
InChIKeyWZPZUDSKCKRURX-UHFFFAOYSA-N
XLogP2.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.15
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
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
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-(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
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3466269
N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 3591780

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2262203) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is WZPZUDSKCKRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-3-25-16-9-7-15(8-10-16)21(27(2,23)24)14-17(22)19-12-13-26-18-6-4-5-11-20-18/h4-11H,3,12-14H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2262203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).