N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide

C21H24N2O4S — CID 3755052

IUPACN-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-14(24)22-17-7-5-16(6-8-17)21-23(20(25)13-28-21)11-10-15-4-9-18(26-2)19(12-15)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyNTZNXSTXLMZBFO-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.48
Rot. Bonds7

About N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide

N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide (PubChem CID 3755052) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
PubChem CID3755052
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-14(24)22-17-7-5-16(6-8-17)21-23(20(25)13-28-21)11-10-15-4-9-18(26-2)19(12-15)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyNTZNXSTXLMZBFO-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide (CID 3755052) is N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide is COc1ccc(CCN2C(=O)CSC2c2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The InChIKey is NTZNXSTXLMZBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14(24)22-17-7-5-16(6-8-17)21-23(20(25)13-28-21)11-10-15-4-9-18(26-2)19(12-15)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 3755052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).