(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide

C26H23N3O2S — CID 46231826

IUPAC(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3ccc4cc5ccccc5cc4c3)CS2)cc1
InChIInChI=1S/C26H23N3O2S/c1-16(30)27-22-9-6-17(7-10-22)26-29-24(15-32-26)25(31)28-23-11-8-20-12-18-4-2-3-5-19(18)13-21(20)14-23/h2-14,24,26,29H,15H2,1H3,(H,27,30)(H,28,31)/t24-,26?/m0/s1
InChIKeyJJYGZCSMXLMVAX-QSAPEBAKSA-N
MW441.56 g/mol
LogP5.29
Rot. Bonds4

About (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide

(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 46231826) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID46231826
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3ccc4cc5ccccc5cc4c3)CS2)cc1
InChIInChI=1S/C26H23N3O2S/c1-16(30)27-22-9-6-17(7-10-22)26-29-24(15-32-26)25(31)28-23-11-8-20-12-18-4-2-3-5-19(18)13-21(20)14-23/h2-14,24,26,29H,15H2,1H3,(H,27,30)(H,28,31)/t24-,26?/m0/s1
InChIKeyJJYGZCSMXLMVAX-QSAPEBAKSA-N
XLogP5.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide (CID 46231826) is (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide is CC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3ccc4cc5ccccc5cc4c3)CS2)cc1.
What is the InChIKey of (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is JJYGZCSMXLMVAX-QSAPEBAKSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-16(30)27-22-9-6-17(7-10-22)26-29-24(15-32-26)25(31)28-23-11-8-20-12-18-4-2-3-5-19(18)13-21(20)14-23/h2-14,24,26,29H,15H2,1H3,(H,27,30)(H,28,31)/t24-,26?/m0/s1.
What are the key properties of (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide?
(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 5.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46231826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).