N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

C21H32N2O2S — CID 3349910

IUPACN-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NC(C)(C)C)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2S/c1-6-7-8-9-18-23(20(25)16-12-10-15(2)11-13-16)17(14-26-18)19(24)22-21(3,4)5/h10-13,17-18H,6-9,14H2,1-5H3,(H,22,24)
InChIKeyOQPIXQMMIYVDJI-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.37
Rot. Bonds6

About N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3349910) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID3349910
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NC(C)(C)C)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2S/c1-6-7-8-9-18-23(20(25)16-12-10-15(2)11-13-16)17(14-26-18)19(24)22-21(3,4)5/h10-13,17-18H,6-9,14H2,1-5H3,(H,22,24)
InChIKeyOQPIXQMMIYVDJI-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744453
methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729362
3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744474
(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495246
(2R,4R)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495247
3-(3,5-dimethoxybenzoyl)-N-(3-methylbutan-2-yl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744473
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
methyl 3-(4-pentylbenzoyl)-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 42727813
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744012
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (CID 3349910) is N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCC1SCC(C(=O)NC(C)(C)C)N1C(=O)c1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is OQPIXQMMIYVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-6-7-8-9-18-23(20(25)16-12-10-15(2)11-13-16)17(14-26-18)19(24)22-21(3,4)5/h10-13,17-18H,6-9,14H2,1-5H3,(H,22,24).
What are the key properties of N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3349910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).