N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C19H28N2O3S — CID 42745097

IUPACN-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3S/c1-13(2)11-17-21(19(23)15-7-5-14(3)6-8-15)16(12-25-17)18(22)20-9-10-24-4/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,22)
InChIKeyAGMLANODRQWSHO-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.69
Rot. Bonds7

About N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745097) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745097
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3S/c1-13(2)11-17-21(19(23)15-7-5-14(3)6-8-15)16(12-25-17)18(22)20-9-10-24-4/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,22)
InChIKeyAGMLANODRQWSHO-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745083
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748214
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748213

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42745097) is N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is COCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AGMLANODRQWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13(2)11-17-21(19(23)15-7-5-14(3)6-8-15)16(12-25-17)18(22)20-9-10-24-4/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,22).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).