N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

C16H14ClN3O3S — CID 8591983

IUPACN-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O3S/c17-11-5-6-12(14(9-11)20(22)23)18-16(21)10-19-7-8-24-15-4-2-1-3-13(15)19/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyPEDLKYUWGXXMPW-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.80
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (PubChem CID 8591983) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
PubChem CID8591983
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O3S/c17-11-5-6-12(14(9-11)20(22)23)18-16(21)10-19-7-8-24-15-4-2-1-3-13(15)19/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyPEDLKYUWGXXMPW-UHFFFAOYSA-N
XLogP3.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-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

N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 7693080
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
2-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485433
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate
CID 5191667
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591940
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 27155798
N-(4-chloro-2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55850231

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (CID 8591983) is N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is O=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is PEDLKYUWGXXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-11-5-6-12(14(9-11)20(22)23)18-16(21)10-19-7-8-24-15-4-2-1-3-13(15)19/h1-6,9H,7-8,10H2,(H,18,21).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 8591983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).