2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C21H21N3O4S — CID 1084914

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-10-12-20(13-11-19)29(26,27)24(18-8-4-3-5-9-18)16-21(25)23-17-7-6-14-22-15-17/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyWHWBIWAEZBGCEA-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.31
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1084914) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1084914
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-10-12-20(13-11-19)29(26,27)24(18-8-4-3-5-9-18)16-21(25)23-17-7-6-14-22-15-17/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyWHWBIWAEZBGCEA-UHFFFAOYSA-N
XLogP3.31
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1084914) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is WHWBIWAEZBGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-28-19-10-12-20(13-11-19)29(26,27)24(18-8-4-3-5-9-18)16-21(25)23-17-7-6-14-22-15-17/h3-15H,2,16H2,1H3,(H,23,25).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 411.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1084914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).