N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide

C27H27N3O3S — CID 3458943

IUPACN-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O3S/c1-33-23-16-14-22(15-17-23)28-25(31)19-24-26(32)30(18-8-11-20-9-4-2-5-10-20)27(34-24)29-21-12-6-3-7-13-21/h2-7,9-10,12-17,24H,8,11,18-19H2,1H3,(H,28,31)/b29-27-
InChIKeyZLLAYSQXWCXNRI-OHYPFYFLSA-N
MW473.60 g/mol
LogP5.29
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3458943) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3458943
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O3S/c1-33-23-16-14-22(15-17-23)28-25(31)19-24-26(32)30(18-8-11-20-9-4-2-5-10-20)27(34-24)29-21-12-6-3-7-13-21/h2-7,9-10,12-17,24H,8,11,18-19H2,1H3,(H,28,31)/b29-27-
InChIKeyZLLAYSQXWCXNRI-OHYPFYFLSA-N
XLogP5.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3978504
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 28748359
N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 7318828
4-[[2-[(5R)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 29011034
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715945
4-[[2-[3-(4-hydroxybutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3581859
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
4-[[2-[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 4024054

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (CID 3458943) is N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZLLAYSQXWCXNRI-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-33-23-16-14-22(15-17-23)28-25(31)19-24-26(32)30(18-8-11-20-9-4-2-5-10-20)27(34-24)29-21-12-6-3-7-13-21/h2-7,9-10,12-17,24H,8,11,18-19H2,1H3,(H,28,31)/b29-27-.
What are the key properties of N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 473.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3458943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).