2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide

C21H21N3O3S — CID 1337759

IUPAC2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-2-17-9-6-7-13-20(17)24(28(26,27)19-11-4-3-5-12-19)16-21(25)23-18-10-8-14-22-15-18/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyCRFIHMJGCCKRNA-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.48
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide (PubChem CID 1337759) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide
PubChem CID1337759
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-2-17-9-6-7-13-20(17)24(28(26,27)19-11-4-3-5-12-19)16-21(25)23-18-10-8-14-22-15-18/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyCRFIHMJGCCKRNA-UHFFFAOYSA-N
XLogP3.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide (CID 1337759) is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide is CCc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide?
The InChIKey is CRFIHMJGCCKRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-17-9-6-7-13-20(17)24(28(26,27)19-11-4-3-5-12-19)16-21(25)23-18-10-8-14-22-15-18/h3-15H,2,16H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide?
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide has a molecular weight of 395.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1337759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).