2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C16H13N3O4S — CID 35874973

IUPAC2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H13N3O4S/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-14-12(8-11)18-16(21)9-24-14/h1-6,8H,7,9H2,(H,17,20)(H,18,21)
InChIKeyQQWQNHAZVFUORC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 35874973) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID35874973
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H13N3O4S/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-14-12(8-11)18-16(21)9-24-14/h1-6,8H,7,9H2,(H,17,20)(H,18,21)
InChIKeyQQWQNHAZVFUORC-UHFFFAOYSA-N
XLogP2.82
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 110493138
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79286230
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 38723282
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 35874973) is 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is QQWQNHAZVFUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-15(7-10-3-1-2-4-13(10)19(22)23)17-11-5-6-14-12(8-11)18-16(21)9-24-14/h1-6,8H,7,9H2,(H,17,20)(H,18,21).
What are the key properties of 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 343.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 35874973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).