(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide

C21H25ClN2O3S — CID 7356695

IUPAC(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O3S/c1-2-3-4-7-11-23-19(25)18-14-28-21(15-10-12-27-13-15)24(18)20(26)16-8-5-6-9-17(16)22/h5-6,8-10,12-13,18,21H,2-4,7,11,14H2,1H3,(H,23,25)/t18-,21+/m0/s1
InChIKeyOFCSYHWRAZSDGB-GHTZIAJQSA-N
MW420.96 g/mol
LogP4.89
Rot. Bonds8

About (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide

(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7356695) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
PubChem CID7356695
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O3S/c1-2-3-4-7-11-23-19(25)18-14-28-21(15-10-12-27-13-15)24(18)20(26)16-8-5-6-9-17(16)22/h5-6,8-10,12-13,18,21H,2-4,7,11,14H2,1H3,(H,23,25)/t18-,21+/m0/s1
InChIKeyOFCSYHWRAZSDGB-GHTZIAJQSA-N
XLogP4.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.89
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

(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809630
3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 3627194
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809634
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744012
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide (CID 7356695) is (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide is CCCCCCNC(=O)[C@@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is OFCSYHWRAZSDGB-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-2-3-4-7-11-23-19(25)18-14-28-21(15-10-12-27-13-15)24(18)20(26)16-8-5-6-9-17(16)22/h5-6,8-10,12-13,18,21H,2-4,7,11,14H2,1H3,(H,23,25)/t18-,21+/m0/s1.
What are the key properties of (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide?
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7356695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).