N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

C19H17N3O6S — CID 7987571

IUPACN-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCOc1cccc(C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1
InChIInChI=1S/C19H17N3O6S/c1-27-12-5-3-4-11(8-12)19-21-18(24)16(29-19)10-17(23)20-14-7-6-13(28-2)9-15(14)22(25)26/h3-9,16H,10H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyNAPLPFMAMQEVEA-INIZCTEOSA-N
MW415.43 g/mol
LogP3.03
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 7987571) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID7987571
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCOc1cccc(C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1
InChIInChI=1S/C19H17N3O6S/c1-27-12-5-3-4-11(8-12)19-21-18(24)16(29-19)10-17(23)20-14-7-6-13(28-2)9-15(14)22(25)26/h3-9,16H,10H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyNAPLPFMAMQEVEA-INIZCTEOSA-N
XLogP3.03
TPSA120.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]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)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 7157816
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 86261510
2-[(5R)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 135691955
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7090735
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5037401
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725332
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 135453664
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[(5S)-2-(4-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 136828528

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (CID 7987571) is N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is COc1cccc(C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is NAPLPFMAMQEVEA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O6S/c1-27-12-5-3-4-11(8-12)19-21-18(24)16(29-19)10-17(23)20-14-7-6-13(28-2)9-15(14)22(25)26/h3-9,16H,10H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 415.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 7987571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).