2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

C23H26N4O3S — CID 58965356

IUPAC2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)CCc2cccc3ccccc23)CC1)Nc1ccccn1
InChIInChI=1S/C23H26N4O3S/c28-23(25-22-10-3-4-12-24-22)18-26-13-15-27(16-14-26)31(29,30)17-11-20-8-5-7-19-6-1-2-9-21(19)20/h1-10,12H,11,13-18H2,(H,24,25,28)
InChIKeyUCTNRIVQDUOLDG-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.36
Rot. Bonds7

About 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 58965356) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID58965356
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)CCc2cccc3ccccc23)CC1)Nc1ccccn1
InChIInChI=1S/C23H26N4O3S/c28-23(25-22-10-3-4-12-24-22)18-26-13-15-27(16-14-26)31(29,30)17-11-20-8-5-7-19-6-1-2-9-21(19)20/h1-10,12H,11,13-18H2,(H,24,25,28)
InChIKeyUCTNRIVQDUOLDG-UHFFFAOYSA-N
XLogP2.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 58965356) is 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCN(S(=O)(=O)CCc2cccc3ccccc23)CC1)Nc1ccccn1.
What is the InChIKey of 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is UCTNRIVQDUOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(25-22-10-3-4-12-24-22)18-26-13-15-27(16-14-26)31(29,30)17-11-20-8-5-7-19-6-1-2-9-21(19)20/h1-10,12H,11,13-18H2,(H,24,25,28).
What are the key properties of 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 438.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 58965356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).