2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C17H21N3O4S — CID 22299839

IUPAC2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccccc1CS(=O)(=O)NCC(=O)NCc1ccncc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-16-6-4-3-5-15(16)13-25(22,23)20-12-17(21)19-11-14-7-9-18-10-8-14/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeySNYPCTWYQPVCOU-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.22
Rot. Bonds9

About 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 22299839) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID22299839
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccccc1CS(=O)(=O)NCC(=O)NCc1ccncc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-16-6-4-3-5-15(16)13-25(22,23)20-12-17(21)19-11-14-7-9-18-10-8-14/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeySNYPCTWYQPVCOU-UHFFFAOYSA-N
XLogP1.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111880265
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2969185
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 22299839) is 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is CCOc1ccccc1CS(=O)(=O)NCC(=O)NCc1ccncc1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SNYPCTWYQPVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-24-16-6-4-3-5-15(16)13-25(22,23)20-12-17(21)19-11-14-7-9-18-10-8-14/h3-10,20H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 22299839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).