N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C17H24N2O4S — CID 46485585

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCN2CCSC2=O)cc1OC
InChIInChI=1S/C17H24N2O4S/c1-11-9-14(22-3)15(23-4)10-13(11)12(2)18-16(20)5-6-19-7-8-24-17(19)21/h9-10,12H,5-8H2,1-4H3,(H,18,20)
InChIKeyRPLUNVWXHSOTSG-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.75
Rot. Bonds7

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 46485585) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID46485585
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCN2CCSC2=O)cc1OC
InChIInChI=1S/C17H24N2O4S/c1-11-9-14(22-3)15(23-4)10-13(11)12(2)18-16(20)5-6-19-7-8-24-17(19)21/h9-10,12H,5-8H2,1-4H3,(H,18,20)
InChIKeyRPLUNVWXHSOTSG-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093564
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
CID 78875354
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918965
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 120773449
2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide
CID 18106389

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 46485585) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is COc1cc(C)c(C(C)NC(=O)CCN2CCSC2=O)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is RPLUNVWXHSOTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-11-9-14(22-3)15(23-4)10-13(11)12(2)18-16(20)5-6-19-7-8-24-17(19)21/h9-10,12H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 352.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 46485585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).