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

C25H29N3O4S — CID 4001896

IUPACN-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C(C)COC)cc1
InChIInChI=1S/C25H29N3O4S/c1-5-18-6-10-21(11-7-18)27-25-28(16(2)15-32-4)24(31)22(33-25)14-23(30)26-20-12-8-19(9-13-20)17(3)29/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,30)/b27-25-
InChIKeySSYNFTUUACNDLQ-RFBIWTDZSA-N
MW467.59 g/mol
LogP4.45
Rot. Bonds9

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

N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4001896) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4001896
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C(C)COC)cc1
InChIInChI=1S/C25H29N3O4S/c1-5-18-6-10-21(11-7-18)27-25-28(16(2)15-32-4)24(31)22(33-25)14-23(30)26-20-12-8-19(9-13-20)17(3)29/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,30)/b27-25-
InChIKeySSYNFTUUACNDLQ-RFBIWTDZSA-N
XLogP4.45
TPSA88.07 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368913
N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990786
2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3905163
N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 3591293
2-[(5S)-2-(2,4-difluorophenyl)imino-3-[(2S)-1-methoxypropan-2-yl]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6598231
2-[2-(4-acetylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 4834906
methyl 4-[[(5R)-3-methyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 29080577
N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892038
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
4-[[2-[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 4024054
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
N-(4-acetylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990782

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4001896) is N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C(C)COC)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SSYNFTUUACNDLQ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-5-18-6-10-21(11-7-18)27-25-28(16(2)15-32-4)24(31)22(33-25)14-23(30)26-20-12-8-19(9-13-20)17(3)29/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,30)/b27-25-.
What are the key properties of N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4001896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).