N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

C22H18N2O3S — CID 1222519

IUPACN-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCC(=O)N(c1ccc2ccccc2c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C22H18N2O3S/c1-14-6-5-9-18(12-14)24-20(26)21(28-22(24)27)23(15(2)25)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,21H,1-2H3/t21-/m1/s1
InChIKeyRGBRHXYXKLYWIF-OAQYLSRUSA-N
MW390.46 g/mol
LogP4.73
Rot. Bonds3

About N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 1222519) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID1222519
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCC(=O)N(c1ccc2ccccc2c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O
InChIInChI=1S/C22H18N2O3S/c1-14-6-5-9-18(12-14)24-20(26)21(28-22(24)27)23(15(2)25)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,21H,1-2H3/t21-/m1/s1
InChIKeyRGBRHXYXKLYWIF-OAQYLSRUSA-N
XLogP4.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 1222519) is N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is CC(=O)N(c1ccc2ccccc2c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O.
What is the InChIKey of N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is RGBRHXYXKLYWIF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-14-6-5-9-18(12-14)24-20(26)21(28-22(24)27)23(15(2)25)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,21H,1-2H3/t21-/m1/s1.
What are the key properties of N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 390.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 1222519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).