2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide

C16H19N3O3S — CID 2991744

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-2-19(23(21,22)15-6-4-3-5-7-15)13-16(20)18-12-14-8-10-17-11-9-14/h3-11H,2,12-13H2,1H3,(H,18,20)
InChIKeyKEKHIDYGVGQXAB-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.41
Rot. Bonds7

About 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 2991744) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID2991744
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-2-19(23(21,22)15-6-4-3-5-7-15)13-16(20)18-12-14-8-10-17-11-9-14/h3-11H,2,12-13H2,1H3,(H,18,20)
InChIKeyKEKHIDYGVGQXAB-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 2991744) is 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide is CCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is KEKHIDYGVGQXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-19(23(21,22)15-6-4-3-5-7-15)13-16(20)18-12-14-8-10-17-11-9-14/h3-11H,2,12-13H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 2991744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).