N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

C21H23N3O3S — CID 21368527

IUPACN-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CC)C2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-24-20(26)18(28-21(24)23-15-8-6-5-7-9-15)14-19(25)22-16-10-12-17(13-11-16)27-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)/b23-21-
InChIKeyDODNVANIHZOWDU-LNVKXUELSA-N
MW397.50 g/mol
LogP4.07
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 21368527) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID21368527
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CC)C2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-24-20(26)18(28-21(24)23-15-8-6-5-7-9-15)14-19(25)22-16-10-12-17(13-11-16)27-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)/b23-21-
InChIKeyDODNVANIHZOWDU-LNVKXUELSA-N
XLogP4.07
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.07
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-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 21368848
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4026125
2-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
N-(4-ethoxyphenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715878
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
N-(4-ethoxyphenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139591
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
methyl 4-[[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 5149042

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (CID 21368527) is N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CC)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is DODNVANIHZOWDU-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-24-20(26)18(28-21(24)23-15-8-6-5-7-9-15)14-19(25)22-16-10-12-17(13-11-16)27-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)/b23-21-.
What are the key properties of N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 21368527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).