4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

C25H32N4O5S — CID 42814748

IUPAC4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C25H32N4O5S/c1-32-20-7-5-4-6-19(20)26-25(31)28-13-10-27(11-14-28)12-15-29-23(30)17-35-24(29)18-8-9-21(33-2)22(16-18)34-3/h4-9,16,24H,10-15,17H2,1-3H3,(H,26,31)
InChIKeyYFJDXLNHZUEUAX-UHFFFAOYSA-N
MW500.62 g/mol
LogP3.14
Rot. Bonds8

About 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 42814748) has the molecular formula C25H32N4O5S and a molecular weight of 500.62 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID42814748
Molecular FormulaC25H32N4O5S
Molecular Weight500.62 g/mol
Exact Mass500.21
IUPAC Name4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C25H32N4O5S/c1-32-20-7-5-4-6-19(20)26-25(31)28-13-10-27(11-14-28)12-15-29-23(30)17-35-24(29)18-8-9-21(33-2)22(16-18)34-3/h4-9,16,24H,10-15,17H2,1-3H3,(H,26,31)
InChIKeyYFJDXLNHZUEUAX-UHFFFAOYSA-N
XLogP3.14
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 742773
2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2881512
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814889
(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 93289293
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 42814748) is 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YFJDXLNHZUEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5S/c1-32-20-7-5-4-6-19(20)26-25(31)28-13-10-27(11-14-28)12-15-29-23(30)17-35-24(29)18-8-9-21(33-2)22(16-18)34-3/h4-9,16,24H,10-15,17H2,1-3H3,(H,26,31).
What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 500.62 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42814748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).