2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide

C23H25N3O3S — CID 21368913

IUPAC2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2S/C(=N\c3ccc(C(C)=O)cc3)N(CC)C2=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-16-6-10-18(11-7-16)24-21(28)14-20-22(29)26(5-2)23(30-20)25-19-12-8-17(9-13-19)15(3)27/h6-13,20H,4-5,14H2,1-3H3,(H,24,28)/b25-23-
InChIKeyLDEGXXPWHMWYHE-BZZOAKBMSA-N
MW423.54 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide

2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 21368913) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
PubChem CID21368913
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2S/C(=N\c3ccc(C(C)=O)cc3)N(CC)C2=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-16-6-10-18(11-7-16)24-21(28)14-20-22(29)26(5-2)23(30-20)25-19-12-8-17(9-13-19)15(3)27/h6-13,20H,4-5,14H2,1-3H3,(H,24,28)/b25-23-
InChIKeyLDEGXXPWHMWYHE-BZZOAKBMSA-N
XLogP4.43
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-acetylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 4834906
N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4001896
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368812
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 3575056
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1217928
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
N-(4-acetylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990782
N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide (CID 21368913) is 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2S/C(=N\c3ccc(C(C)=O)cc3)N(CC)C2=O)cc1.
What is the InChIKey of 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is LDEGXXPWHMWYHE-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-16-6-10-18(11-7-16)24-21(28)14-20-22(29)26(5-2)23(30-20)25-19-12-8-17(9-13-19)15(3)27/h6-13,20H,4-5,14H2,1-3H3,(H,24,28)/b25-23-.
What are the key properties of 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide?
2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 21368913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).