N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

C25H29N3O4S — CID 42993943

IUPACN-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C(C)C)cc1
InChIInChI=1S/C25H29N3O4S/c1-6-13-28-24(30)22(33-25(28)27-18-9-7-17(8-10-18)16(2)3)15-23(29)26-19-11-12-20(31-4)21(14-19)32-5/h6-12,14,16,22H,1,13,15H2,2-5H3,(H,26,29)/b27-25-
InChIKeyQZPZOIPLQFJIHI-RFBIWTDZSA-N
MW467.59 g/mol
LogP4.97
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42993943) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID42993943
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C(C)C)cc1
InChIInChI=1S/C25H29N3O4S/c1-6-13-28-24(30)22(33-25(28)27-18-9-7-17(8-10-18)16(2)3)15-23(29)26-19-11-12-20(31-4)21(14-19)32-5/h6-12,14,16,22H,1,13,15H2,2-5H3,(H,26,29)/b27-25-
InChIKeyQZPZOIPLQFJIHI-RFBIWTDZSA-N
XLogP4.97
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1218013
N-(4-iodophenyl)-2-[(5S)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1221449
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1299861
N-(2,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217959
2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715924
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715878
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
N-(3-methoxyphenyl)-2-[(5S)-2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715568
N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990786
2-[(5S)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 7324474

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 42993943) is N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)Nc2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QZPZOIPLQFJIHI-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-6-13-28-24(30)22(33-25(28)27-18-9-7-17(8-10-18)16(2)3)15-23(29)26-19-11-12-20(31-4)21(14-19)32-5/h6-12,14,16,22H,1,13,15H2,2-5H3,(H,26,29)/b27-25-.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(4-propan-2-ylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).