2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C17H13N3O4S — CID 134019708

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H13N3O4S/c21-15(18-9-5-6-12-11(7-9)20-17(23)24-12)8-14-16(22)19-10-3-1-2-4-13(10)25-14/h1-7,14H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyLMHXCPRWHRPEQK-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 134019708) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID134019708
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H13N3O4S/c21-15(18-9-5-6-12-11(7-9)20-17(23)24-12)8-14-16(22)19-10-3-1-2-4-13(10)25-14/h1-7,14H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyLMHXCPRWHRPEQK-UHFFFAOYSA-N
XLogP2.56
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55945477
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165804
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
2,2-dimethyl-N-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]propanamide
CID 55532332
N-(4-fluoro-3-nitrophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9212667
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 134019708) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is LMHXCPRWHRPEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-15(18-9-5-6-12-11(7-9)20-17(23)24-12)8-14-16(22)19-10-3-1-2-4-13(10)25-14/h1-7,14H,8H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 355.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 134019708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).