N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide

C22H28N2O3S — CID 134155772

IUPACN-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide
SMILESC#CCN1CCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H28N2O3S/c1-3-12-23-13-10-19(11-14-23)18-24(15-16-27-2)28(25,26)22-9-8-20-6-4-5-7-21(20)17-22/h1,4-9,17,19H,10-16,18H2,2H3
InChIKeyGWYNEKZKKCPWHH-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.82
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide

N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 134155772) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide
PubChem CID134155772
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide
SMILESC#CCN1CCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H28N2O3S/c1-3-12-23-13-10-19(11-14-23)18-24(15-16-27-2)28(25,26)22-9-8-20-6-4-5-7-21(20)17-22/h1,4-9,17,19H,10-16,18H2,2H3
InChIKeyGWYNEKZKKCPWHH-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide 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 N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide (CID 134155772) is N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide is C#CCN1CCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is GWYNEKZKKCPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-12-23-13-10-19(11-14-23)18-24(15-16-27-2)28(25,26)22-9-8-20-6-4-5-7-21(20)17-22/h1,4-9,17,19H,10-16,18H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide?
N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 400.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 134155772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).