2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride

C14H22ClN3O3S — CID 120590902

IUPAC2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCCN1CCCS1(=O)=O)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-14(15,12-6-3-2-4-7-12)13(18)16-8-10-17-9-5-11-21(17,19)20;/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18);1H
InChIKeyWRJTUPUSKZNRIG-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.43
Rot. Bonds5

About 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120590902) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120590902
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCCN1CCCS1(=O)=O)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-14(15,12-6-3-2-4-7-12)13(18)16-8-10-17-9-5-11-21(17,19)20;/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18);1H
InChIKeyWRJTUPUSKZNRIG-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide
CID 49068329
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589098
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 120593685
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120590902) is 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NCCN1CCCS1(=O)=O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is WRJTUPUSKZNRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-14(15,12-6-3-2-4-7-12)13(18)16-8-10-17-9-5-11-21(17,19)20;/h2-4,6-7H,5,8-11,15H2,1H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).