2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide

C24H22N4O6S — CID 46802613

IUPAC2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CC1S/C(=N\c2cccc(C)c2)N(Cc2ccco2)C1=O
InChIInChI=1S/C24H22N4O6S/c1-15-5-3-6-16(11-15)25-24-27(14-18-7-4-10-34-18)23(30)21(35-24)13-22(29)26-19-12-17(28(31)32)8-9-20(19)33-2/h3-12,21H,13-14H2,1-2H3,(H,26,29)/b25-24-
InChIKeyALOXYGBODFDXQY-IZHYLOQSSA-N
MW494.53 g/mol
LogP4.67
Rot. Bonds8

About 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide

2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 46802613) has the molecular formula C24H22N4O6S and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID46802613
Molecular FormulaC24H22N4O6S
Molecular Weight494.53 g/mol
Exact Mass494.13
IUPAC Name2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CC1S/C(=N\c2cccc(C)c2)N(Cc2ccco2)C1=O
InChIInChI=1S/C24H22N4O6S/c1-15-5-3-6-16(11-15)25-24-27(14-18-7-4-10-34-18)23(30)21(35-24)13-22(29)26-19-12-17(28(31)32)8-9-20(19)33-2/h3-12,21H,13-14H2,1-2H3,(H,26,29)/b25-24-
InChIKeyALOXYGBODFDXQY-IZHYLOQSSA-N
XLogP4.67
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 42993693
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 5217236
N-(3,4-dimethoxyphenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993996
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368800
N-(2,5-dimethylphenyl)-2-[3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936253
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 55355494
N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7529218
N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7973987

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (CID 46802613) is 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CC1S/C(=N\c2cccc(C)c2)N(Cc2ccco2)C1=O.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is ALOXYGBODFDXQY-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N4O6S/c1-15-5-3-6-16(11-15)25-24-27(14-18-7-4-10-34-18)23(30)21(35-24)13-22(29)26-19-12-17(28(31)32)8-9-20(19)33-2/h3-12,21H,13-14H2,1-2H3,(H,26,29)/b25-24-.
What are the key properties of 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 494.53 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 46802613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).