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

C23H27N3O3S — CID 18206216

IUPACN-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-16-10-11-17(2)19(14-16)25-21(27)15-20-22(28)26(12-7-13-29-3)23(30-20)24-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3,(H,25,27)/b24-23-
InChIKeyLLGQRITWRCGHFN-VHXPQNKSSA-N
MW425.55 g/mol
LogP4.30
Rot. Bonds8

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

N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18206216) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID18206216
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-16-10-11-17(2)19(14-16)25-21(27)15-20-22(28)26(12-7-13-29-3)23(30-20)24-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3,(H,25,27)/b24-23-
InChIKeyLLGQRITWRCGHFN-VHXPQNKSSA-N
XLogP4.30
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 18267547
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42993938
N-(2,5-dimethylphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994016
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994108
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
2-[3-butyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18205331
2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2385516
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 18206216) is N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is COCCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccccc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is LLGQRITWRCGHFN-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-10-11-17(2)19(14-16)25-21(27)15-20-22(28)26(12-7-13-29-3)23(30-20)24-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3,(H,25,27)/b24-23-.
What are the key properties of N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18206216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).