4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide

C21H25N3O4S — CID 126458629

IUPAC4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOCCNC(=O)C1CSC(c2ccccc2)N1C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H25N3O4S/c1-27-13-12-22-19(25)17-14-29-20(15-8-4-3-5-9-15)24(17)21(26)23-16-10-6-7-11-18(16)28-2/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTSJOCUHPQAWRG-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.11
Rot. Bonds7

About 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide

4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 126458629) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID126458629
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOCCNC(=O)C1CSC(c2ccccc2)N1C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H25N3O4S/c1-27-13-12-22-19(25)17-14-29-20(15-8-4-3-5-9-15)24(17)21(26)23-16-10-6-7-11-18(16)28-2/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTSJOCUHPQAWRG-UHFFFAOYSA-N
XLogP3.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-4-N-[(4-ethylphenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92701472
(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92703689
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
(2S,4S)-4-N-[(4-chlorophenyl)methyl]-3-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92703684
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide (CID 126458629) is 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide is COCCNC(=O)C1CSC(c2ccccc2)N1C(=O)Nc1ccccc1OC.
What is the InChIKey of 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is OTSJOCUHPQAWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-27-13-12-22-19(25)17-14-29-20(15-8-4-3-5-9-15)24(17)21(26)23-16-10-6-7-11-18(16)28-2/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 126458629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).