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

C20H20N4O4S — CID 7413953

IUPAC2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C
InChIInChI=1S/C20H20N4O4S/c1-3-13-8-4-5-9-14(13)22-20-23(2)19(26)17(29-20)12-18(25)21-15-10-6-7-11-16(15)24(27)28/h4-11,17H,3,12H2,1-2H3,(H,21,25)/b22-20+/t17-/m0/s1
InChIKeyIGWUDWXTFFAUMN-XGIGFIBQSA-N
MW412.47 g/mol
LogP3.75
Rot. Bonds6

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

2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 7413953) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
PubChem CID7413953
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
SMILESCCc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C
InChIInChI=1S/C20H20N4O4S/c1-3-13-8-4-5-9-14(13)22-20-23(2)19(26)17(29-20)12-18(25)21-15-10-6-7-11-16(15)24(27)28/h4-11,17H,3,12H2,1-2H3,(H,21,25)/b22-20+/t17-/m0/s1
InChIKeyIGWUDWXTFFAUMN-XGIGFIBQSA-N
XLogP3.75
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5R)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 40830222
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 21368790
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 40844848
[2-[[2-[3-ethyl-2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl] acetate
CID 21368695
2-[2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 45143247
N-(2-nitrophenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135816473
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 45145516
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-(4-fluorophenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1280340
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 9429999

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (CID 7413953) is 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is CCc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C.
What is the InChIKey of 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is IGWUDWXTFFAUMN-XGIGFIBQSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-3-13-8-4-5-9-14(13)22-20-23(2)19(26)17(29-20)12-18(25)21-15-10-6-7-11-16(15)24(27)28/h4-11,17H,3,12H2,1-2H3,(H,21,25)/b22-20+/t17-/m0/s1.
What are the key properties of 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide?
2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(2-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 7413953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).