(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C22H23N3O4S — CID 2125764

IUPAC(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O4S/c1-2-29-21-20(8-5-11-23-21)22(26)24-12-14-25(15-13-24)30(27,28)19-10-9-17-6-3-4-7-18(17)16-19/h3-11,16H,2,12-15H2,1H3
InChIKeyDHHQPXCDCYXTNZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.78
Rot. Bonds5

About (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2125764) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2125764
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O4S/c1-2-29-21-20(8-5-11-23-21)22(26)24-12-14-25(15-13-24)30(27,28)19-10-9-17-6-3-4-7-18(17)16-19/h3-11,16H,2,12-15H2,1H3
InChIKeyDHHQPXCDCYXTNZ-UHFFFAOYSA-N
XLogP2.78
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2125764) is (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DHHQPXCDCYXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-2-29-21-20(8-5-11-23-21)22(26)24-12-14-25(15-13-24)30(27,28)19-10-9-17-6-3-4-7-18(17)16-19/h3-11,16H,2,12-15H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 425.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2125764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).