2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C22H25N3O3S — CID 8715945

IUPAC2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O3S/c1-4-13-25-21(27)19(14-20(26)23-16-7-5-15(2)6-8-16)29-22(25)24-17-9-11-18(28-3)12-10-17/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/b24-22-/t19-/m1/s1
InChIKeyZIGBMMYMVSHTIJ-MAVBTGMRSA-N
MW411.53 g/mol
LogP4.37
Rot. Bonds7

About 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 8715945) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID8715945
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O3S/c1-4-13-25-21(27)19(14-20(26)23-16-7-5-15(2)6-8-16)29-22(25)24-17-9-11-18(28-3)12-10-17/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/b24-22-/t19-/m1/s1
InChIKeyZIGBMMYMVSHTIJ-MAVBTGMRSA-N
XLogP4.37
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.37
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-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715878
N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974054
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
2-[2-(4-acetylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 4834906
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-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 8715945) is 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccc(OC)cc1.
What is the InChIKey of 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ZIGBMMYMVSHTIJ-MAVBTGMRSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-4-13-25-21(27)19(14-20(26)23-16-7-5-15(2)6-8-16)29-22(25)24-17-9-11-18(28-3)12-10-17/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/b24-22-/t19-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8715945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).