2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C22H23N3O4S — CID 1085939

IUPAC2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-20-10-8-19(9-11-20)25(16-22(26)24-18-5-4-14-23-15-18)30(27,28)21-12-6-17(2)7-13-21/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyIJLDDMGPKOHKCK-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.62
Rot. Bonds8

About 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1085939) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1085939
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-20-10-8-19(9-11-20)25(16-22(26)24-18-5-4-14-23-15-18)30(27,28)21-12-6-17(2)7-13-21/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyIJLDDMGPKOHKCK-UHFFFAOYSA-N
XLogP3.62
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
[3H]Empa
CID 42604859
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 24742028
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
N1-[6-(3-pyridyloxy)-3-pyridyl]-4-methylbenzene-1-sulfonamide
CID 2800181
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1085939) is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is IJLDDMGPKOHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-29-20-10-8-19(9-11-20)25(16-22(26)24-18-5-4-14-23-15-18)30(27,28)21-12-6-17(2)7-13-21/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 425.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1085939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).