3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride

C22H34Cl2N4O7S — CID 69154535

IUPAC3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride
SMILESCc1cn(NC(=O)CCOCCOCCOCCOCCN)nc1-c1ccc(Cl)c(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C22H33ClN4O7S.ClH/c1-17-16-27(26-22(17)18-3-4-19(23)20(15-18)35(2,29)30)25-21(28)5-7-31-9-11-33-13-14-34-12-10-32-8-6-24;/h3-4,15-16H,5-14,24H2,1-2H3,(H,25,28);1H
InChIKeyKPWHJANZSJKDLX-UHFFFAOYSA-N
MW569.51 g/mol
LogP1.82
Rot. Bonds17

About 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride (PubChem CID 69154535) has the molecular formula C22H34Cl2N4O7S and a molecular weight of 569.51 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride
PubChem CID69154535
Molecular FormulaC22H34Cl2N4O7S
Molecular Weight569.51 g/mol
Exact Mass568.15
IUPAC Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride
SMILESCc1cn(NC(=O)CCOCCOCCOCCOCCN)nc1-c1ccc(Cl)c(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C22H33ClN4O7S.ClH/c1-17-16-27(26-22(17)18-3-4-19(23)20(15-18)35(2,29)30)25-21(28)5-7-31-9-11-33-13-14-34-12-10-32-8-6-24;/h3-4,15-16H,5-14,24H2,1-2H3,(H,25,28);1H
InChIKeyKPWHJANZSJKDLX-UHFFFAOYSA-N
XLogP1.82
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride 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 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride?
The IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride (CID 69154535) is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride?
The canonical SMILES for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride is Cc1cn(NC(=O)CCOCCOCCOCCOCCN)nc1-c1ccc(Cl)c(S(C)(=O)=O)c1.Cl.
What is the InChIKey of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride?
The InChIKey is KPWHJANZSJKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O7S.ClH/c1-17-16-27(26-22(17)18-3-4-19(23)20(15-18)35(2,29)30)25-21(28)5-7-31-9-11-33-13-14-34-12-10-32-8-6-24;/h3-4,15-16H,5-14,24H2,1-2H3,(H,25,28);1H.
What are the key properties of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride?
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride has a molecular weight of 569.51 g/mol, XLogP of 1.82, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(4-chloro-3-methylsulfonylphenyl)-4-methylpyrazol-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 69154535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).