N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C19H15N3O5S — CID 78830947

IUPACN-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C19H15N3O5S/c1-12-11-28-19(25)21(12)10-17(23)20-16-8-7-14(22(26)27)9-15(16)18(24)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyUVBOXJGSZOLBDF-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.00
Rot. Bonds6

About N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 78830947) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID78830947
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C19H15N3O5S/c1-12-11-28-19(25)21(12)10-17(23)20-16-8-7-14(22(26)27)9-15(16)18(24)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyUVBOXJGSZOLBDF-UHFFFAOYSA-N
XLogP3.00
TPSA111.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.00
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-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-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-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-N-(2-benzoyl-4-nitrophenyl)acetamide
CID 90252740
N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
CID 11026488
N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
CID 154108561
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43358586
2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4153492
N-(4-fluoro-3-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27667264
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1124589
N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
CID 9082146
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
(E)-N-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 11201786
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24982024

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 78830947) is N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UVBOXJGSZOLBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-12-11-28-19(25)21(12)10-17(23)20-16-8-7-14(22(26)27)9-15(16)18(24)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 397.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 78830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).