(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C20H22N2O3S — CID 7323787

IUPAC(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)11-21-19(25)17-12-26-20(22(17)14(2)23)16-5-3-4-6-18(16)24/h3-10,17,20,24H,11-12H2,1-2H3,(H,21,25)/t17-,20+/m0/s1
InChIKeyPIISJDXTMDICLB-FXAWDEMLSA-N
MW370.47 g/mol
LogP2.98
Rot. Bonds4

About (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 7323787) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID7323787
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)11-21-19(25)17-12-26-20(22(17)14(2)23)16-5-3-4-6-18(16)24/h3-10,17,20,24H,11-12H2,1-2H3,(H,21,25)/t17-,20+/m0/s1
InChIKeyPIISJDXTMDICLB-FXAWDEMLSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 7323775
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 13066729
N-benzyl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3810123
(3R,9bR)-6,7-dimethoxy-N-[(4-methylphenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7091880
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 7323787) is (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PIISJDXTMDICLB-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)11-21-19(25)17-12-26-20(22(17)14(2)23)16-5-3-4-6-18(16)24/h3-10,17,20,24H,11-12H2,1-2H3,(H,21,25)/t17-,20+/m0/s1.
What are the key properties of (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-acetyl-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7323787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).