N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C14H16N4O5S — CID 7529218

IUPACN-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1/S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1C
InChIInChI=1S/C14H16N4O5S/c1-15-14-17(2)13(20)11(24-14)7-12(19)16-9-5-4-8(18(21)22)6-10(9)23-3/h4-6,11H,7H2,1-3H3,(H,16,19)/b15-14+/t11-/m0/s1
InChIKeyBCECWPRUPUESQP-AKCBPTIMSA-N
MW352.37 g/mol
LogP1.49
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7529218) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID7529218
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1/S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1C
InChIInChI=1S/C14H16N4O5S/c1-15-14-17(2)13(20)11(24-14)7-12(19)16-9-5-4-8(18(21)22)6-10(9)23-3/h4-6,11H,7H2,1-3H3,(H,16,19)/b15-14+/t11-/m0/s1
InChIKeyBCECWPRUPUESQP-AKCBPTIMSA-N
XLogP1.49
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.49
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

2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-pentan-2-yl-1,3-thiazolidin-5-yl)acetamide
CID 4544716
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-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 45143371
N-(2-methoxy-4-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135953982
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41201265
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5R)-3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1224444
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
2-[3-(furan-2-ylmethyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 46802613
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 7529218) is N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is C/N=C1/S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1C.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BCECWPRUPUESQP-AKCBPTIMSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-15-14-17(2)13(20)11(24-14)7-12(19)16-9-5-4-8(18(21)22)6-10(9)23-3/h4-6,11H,7H2,1-3H3,(H,16,19)/b15-14+/t11-/m0/s1.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 352.37 g/mol, XLogP of 1.49, 5 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-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7529218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).