N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide

C27H28N4O5S — CID 4544716

IUPACN-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCC(C)N1C(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C27H28N4O5S/c1-4-8-17(2)30-26(33)24(16-25(32)28-22-14-13-19(31(34)35)15-23(22)36-3)37-27(30)29-21-12-7-10-18-9-5-6-11-20(18)21/h5-7,9-15,17,24H,4,8,16H2,1-3H3,(H,28,32)/b29-27-
InChIKeyJJSUHPPGKBTBOO-OHYPFYFLSA-N
MW520.61 g/mol
LogP5.91
Rot. Bonds9

About N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 4544716) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide
PubChem CID4544716
Molecular FormulaC27H28N4O5S
Molecular Weight520.61 g/mol
Exact Mass520.18
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCC(C)N1C(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C27H28N4O5S/c1-4-8-17(2)30-26(33)24(16-25(32)28-22-14-13-19(31(34)35)15-23(22)36-3)37-27(30)29-21-12-7-10-18-9-5-6-11-20(18)21/h5-7,9-15,17,24H,4,8,16H2,1-3H3,(H,28,32)/b29-27-
InChIKeyJJSUHPPGKBTBOO-OHYPFYFLSA-N
XLogP5.91
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7529218
2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 41135445
N-(2-methoxy-4-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135953982
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 21368929
2-[(5R)-3-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 98391680
N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7782860
2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 7413953
2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 46802613
N-(2-methoxy-5-nitrophenyl)-2-[(5S)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724974

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide (CID 4544716) is N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide is CCCC(C)N1C(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)S/C1=N\c1cccc2ccccc12.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JJSUHPPGKBTBOO-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-4-8-17(2)30-26(33)24(16-25(32)28-22-14-13-19(31(34)35)15-23(22)36-3)37-27(30)29-21-12-7-10-18-9-5-6-11-20(18)21/h5-7,9-15,17,24H,4,8,16H2,1-3H3,(H,28,32)/b29-27-.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 520.61 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 4544716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).