2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide

C13H19N3O4S — CID 120985942

IUPAC2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O4S/c1-20-9-12(14)13(17)15-10-4-2-5-11(8-10)16-6-3-7-21(16,18)19/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyNAAFOCGNLWAPCD-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide

2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide (PubChem CID 120985942) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
PubChem CID120985942
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O4S/c1-20-9-12(14)13(17)15-10-4-2-5-11(8-10)16-6-3-7-21(16,18)19/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H,15,17)
InChIKeyNAAFOCGNLWAPCD-UHFFFAOYSA-N
XLogP0.14
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide 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

(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
CID 7638922
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46696009
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide (CID 120985942) is 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide?
The InChIKey is NAAFOCGNLWAPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-9-12(14)13(17)15-10-4-2-5-11(8-10)16-6-3-7-21(16,18)19/h2,4-5,8,12H,3,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide?
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide has a molecular weight of 313.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 120985942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).