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

C15H14N2O2S2 — CID 37015324

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C15H14N2O2S2/c18-14(4-1-10-5-6-20-8-10)16-11-2-3-13-12(7-11)17-15(19)9-21-13/h2-3,5-8H,1,4,9H2,(H,16,18)(H,17,19)
InChIKeyAWNRUQWVOAPCNV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.36
Rot. Bonds4

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

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide (PubChem CID 37015324) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
PubChem CID37015324
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C15H14N2O2S2/c18-14(4-1-10-5-6-20-8-10)16-11-2-3-13-12(7-11)17-15(19)9-21-13/h2-3,5-8H,1,4,9H2,(H,16,18)(H,17,19)
InChIKeyAWNRUQWVOAPCNV-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
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
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37015475
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
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
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
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide (CID 37015324) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is AWNRUQWVOAPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c18-14(4-1-10-5-6-20-8-10)16-11-2-3-13-12(7-11)17-15(19)9-21-13/h2-3,5-8H,1,4,9H2,(H,16,18)(H,17,19).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 37015324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).