N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

C23H27ClN2O2S — CID 42744445

IUPACN-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2S/c1-2-3-5-14-21-26(23(28)18-12-8-9-13-19(18)24)20(16-29-21)22(27)25-15-17-10-6-4-7-11-17/h4,6-13,20-21H,2-3,5,14-16H2,1H3,(H,25,27)
InChIKeyCJSFUFNZEOFOBX-UHFFFAOYSA-N
MW431.00 g/mol
LogP5.12
Rot. Bonds8

About N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744445) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744445
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC NameN-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2S/c1-2-3-5-14-21-26(23(28)18-12-8-9-13-19(18)24)20(16-29-21)22(27)25-15-17-10-6-4-7-11-17/h4,6-13,20-21H,2-3,5,14-16H2,1H3,(H,25,27)
InChIKeyCJSFUFNZEOFOBX-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 55.12
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-(1-benzylpiperidin-4-yl)-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 4637317
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221
2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745284
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
2-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (CID 42744445) is N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is CJSFUFNZEOFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c1-2-3-5-14-21-26(23(28)18-12-8-9-13-19(18)24)20(16-29-21)22(27)25-15-17-10-6-4-7-11-17/h4,6-13,20-21H,2-3,5,14-16H2,1H3,(H,25,27).
What are the key properties of N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 431.00 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).