(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide

C24H23N3O4S — CID 51942823

IUPAC(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C24H23N3O4S/c1-16-8-10-20(21(12-16)30-2)31-22-11-9-18(13-25-22)26-23(28)19-14-32-15-27(19)24(29)17-6-4-3-5-7-17/h3-13,19H,14-15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyHILCAZCVHCDLLD-IBGZPJMESA-N
MW449.53 g/mol
LogP4.34
Rot. Bonds6

About (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 51942823) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
PubChem CID51942823
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C24H23N3O4S/c1-16-8-10-20(21(12-16)30-2)31-22-11-9-18(13-25-22)26-23(28)19-14-32-15-27(19)24(29)17-6-4-3-5-7-17/h3-13,19H,14-15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyHILCAZCVHCDLLD-IBGZPJMESA-N
XLogP4.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97325875
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
CID 55872419
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide (CID 51942823) is (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cn1.
What is the InChIKey of (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HILCAZCVHCDLLD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-8-10-20(21(12-16)30-2)31-22-11-9-18(13-25-22)26-23(28)19-14-32-15-27(19)24(29)17-6-4-3-5-7-17/h3-13,19H,14-15H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51942823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).