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

C21H23N3O2S — CID 28748359

IUPACN-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-22-19(25)15-18-20(26)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,25)/b23-21-/t18-/m0/s1
InChIKeyIHXHIALEZOMOQG-NKWDDMGQSA-N
MW381.50 g/mol
LogP3.39
Rot. Bonds7

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

N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 28748359) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID28748359
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-22-19(25)15-18-20(26)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,25)/b23-21-/t18-/m0/s1
InChIKeyIHXHIALEZOMOQG-NKWDDMGQSA-N
XLogP3.39
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 7318828
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943
N-(3-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3978504
4-[[2-[(5R)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 29011034
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
4-[[2-[3-(4-hydroxybutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3581859
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 41242533
2-[(5R)-3-(3-ethoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715685

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (CID 28748359) is N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is CNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IHXHIALEZOMOQG-NKWDDMGQSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-22-19(25)15-18-20(26)24(14-8-11-16-9-4-2-5-10-16)21(27-18)23-17-12-6-3-7-13-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3,(H,22,25)/b23-21-/t18-/m0/s1.
What are the key properties of N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 28748359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).