2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide

C17H15ClN2OS2 — CID 46626799

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
SMILESCC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2OS2/c1-11(16(21)19-15-9-5-3-7-13(15)18)23-17-20-14-8-4-2-6-12(14)10-22-17/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRRJXHDKHTJCBPK-UHFFFAOYSA-N
MW362.91 g/mol
LogP5.33
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide (PubChem CID 46626799) has the molecular formula C17H15ClN2OS2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
PubChem CID46626799
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
SMILESCC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2OS2/c1-11(16(21)19-15-9-5-3-7-13(15)18)23-17-20-14-8-4-2-6-12(14)10-22-17/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRRJXHDKHTJCBPK-UHFFFAOYSA-N
XLogP5.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.91
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide
CID 46613880
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 46626706
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 51236742
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7633893
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 7614087
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-phenylpropanamide
CID 8004927
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 7613662
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 9160683
1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17414628
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide (CID 46626799) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is CC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The InChIKey is RRJXHDKHTJCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c1-11(16(21)19-15-9-5-3-7-13(15)18)23-17-20-14-8-4-2-6-12(14)10-22-17/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide has a molecular weight of 362.91 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 46626799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).