N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide

C21H22N2O3S — CID 10221510

IUPACN-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide
SMILESNCCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O3S/c22-11-12-23-21(24)15-27(25,26)14-16-5-7-18(8-6-16)20-10-9-17-3-1-2-4-19(17)13-20/h1-10,13H,11-12,14-15,22H2,(H,23,24)
InChIKeyJHMPBPHVBURENN-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.50
Rot. Bonds7

About N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide

N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide (PubChem CID 10221510) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide
PubChem CID10221510
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide
SMILESNCCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O3S/c22-11-12-23-21(24)15-27(25,26)14-16-5-7-18(8-6-16)20-10-9-17-3-1-2-4-19(17)13-20/h1-10,13H,11-12,14-15,22H2,(H,23,24)
InChIKeyJHMPBPHVBURENN-UHFFFAOYSA-N
XLogP2.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide 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-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide (CID 10221510) is N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide is NCCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide?
The InChIKey is JHMPBPHVBURENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c22-11-12-23-21(24)15-27(25,26)14-16-5-7-18(8-6-16)20-10-9-17-3-1-2-4-19(17)13-20/h1-10,13H,11-12,14-15,22H2,(H,23,24).
What are the key properties of N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide?
N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 10221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).