N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide

C17H16N2O2S — CID 37015148

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H16N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h1-5,7-8,10H,6,9,11H2,(H,18,20)(H,19,21)
InChIKeyCIMLDSYMFQRBDQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.30
Rot. Bonds4

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide (PubChem CID 37015148) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
PubChem CID37015148
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H16N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h1-5,7-8,10H,6,9,11H2,(H,18,20)(H,19,21)
InChIKeyCIMLDSYMFQRBDQ-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
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
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
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-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
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 35874973
3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745
4-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 35875716

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide (CID 37015148) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide?
The InChIKey is CIMLDSYMFQRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h1-5,7-8,10H,6,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide is sourced from PubChem (CID 37015148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).