2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide

C15H18ClN3O3S — CID 55659401

IUPAC2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
SMILESO=C(CCN1CCSC1=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O3S/c16-12-4-2-1-3-11(12)14(21)18-7-6-17-13(20)5-8-19-9-10-23-15(19)22/h1-4H,5-10H2,(H,17,20)(H,18,21)
InChIKeyFIQLKUSHDAXCTD-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.74
Rot. Bonds7

About 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide

2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide (PubChem CID 55659401) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
PubChem CID55659401
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
SMILESO=C(CCN1CCSC1=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O3S/c16-12-4-2-1-3-11(12)14(21)18-7-6-17-13(20)5-8-19-9-10-23-15(19)22/h1-4H,5-10H2,(H,17,20)(H,18,21)
InChIKeyFIQLKUSHDAXCTD-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide 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

N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245524
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116656
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
N-(1,3-benzothiazol-2-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182021
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
methyl 6-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]hexanoate
CID 43408442
1-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide (CID 55659401) is 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide is O=C(CCN1CCSC1=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide?
The InChIKey is FIQLKUSHDAXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c16-12-4-2-1-3-11(12)14(21)18-7-6-17-13(20)5-8-19-9-10-23-15(19)22/h1-4H,5-10H2,(H,17,20)(H,18,21).
What are the key properties of 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide?
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide has a molecular weight of 355.85 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 55659401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).