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

C17H21N3O3S — CID 22299265

IUPAC2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1ccc(CS(=O)(=O)NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-14-3-5-16(6-4-14)13-24(22,23)20-12-17(21)19-11-15-7-9-18-10-8-15/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyHWALSQCFOGJDFU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.38
Rot. Bonds8

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

2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 22299265) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID22299265
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1ccc(CS(=O)(=O)NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-14-3-5-16(6-4-14)13-24(22,23)20-12-17(21)19-11-15-7-9-18-10-8-15/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyHWALSQCFOGJDFU-UHFFFAOYSA-N
XLogP1.38
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299839
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 22299265) is 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is CCc1ccc(CS(=O)(=O)NCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is HWALSQCFOGJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-14-3-5-16(6-4-14)13-24(22,23)20-12-17(21)19-11-15-7-9-18-10-8-15/h3-10,20H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 22299265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).