3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide

C20H30N2O5S — CID 42744474

IUPAC3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NOCC)N1C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H30N2O5S/c1-5-7-8-9-18-22(17(13-28-18)19(23)21-27-6-2)20(24)14-10-15(25-3)12-16(11-14)26-4/h10-12,17-18H,5-9,13H2,1-4H3,(H,21,23)
InChIKeyKDGCQNPRBOFFQT-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.24
Rot. Bonds10

About 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide

3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744474) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744474
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NOCC)N1C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H30N2O5S/c1-5-7-8-9-18-22(17(13-28-18)19(23)21-27-6-2)20(24)14-10-15(25-3)12-16(11-14)26-4/h10-12,17-18H,5-9,13H2,1-4H3,(H,21,23)
InChIKeyKDGCQNPRBOFFQT-UHFFFAOYSA-N
XLogP3.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxybenzoyl)-N-(3-methylbutan-2-yl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744473
methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729362
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387
N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3349910
N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744453
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729353
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
methyl 3-(4-pentylbenzoyl)-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 42727813
methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide (CID 42744474) is 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCC1SCC(C(=O)NOCC)N1C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is KDGCQNPRBOFFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-5-7-8-9-18-22(17(13-28-18)19(23)21-27-6-2)20(24)14-10-15(25-3)12-16(11-14)26-4/h10-12,17-18H,5-9,13H2,1-4H3,(H,21,23).
What are the key properties of 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide?
3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).