N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide

C17H21ClN2O2S — CID 42814526

IUPACN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C17H21ClN2O2S/c1-19(16(22)12-5-4-6-12)9-10-20-15(21)11-23-17(20)13-7-2-3-8-14(13)18/h2-3,7-8,12,17H,4-6,9-11H2,1H3
InChIKeyHCWMOIZPZOEKFP-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.17
Rot. Bonds5

About N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide

N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide (PubChem CID 42814526) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
PubChem CID42814526
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C17H21ClN2O2S/c1-19(16(22)12-5-4-6-12)9-10-20-15(21)11-23-17(20)13-7-2-3-8-14(13)18/h2-3,7-8,12,17H,4-6,9-11H2,1H3
InChIKeyHCWMOIZPZOEKFP-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide (CID 42814526) is N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide is CN(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide?
The InChIKey is HCWMOIZPZOEKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-19(16(22)12-5-4-6-12)9-10-20-15(21)11-23-17(20)13-7-2-3-8-14(13)18/h2-3,7-8,12,17H,4-6,9-11H2,1H3.
What are the key properties of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide?
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide has a molecular weight of 352.89 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 42814526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).