2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide

C16H12Cl2N2OS2 — CID 7613666

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c17-12-6-5-11(7-13(12)18)19-15(21)9-23-16-20-14-4-2-1-3-10(14)8-22-16/h1-7H,8-9H2,(H,19,21)
InChIKeyZHJQXOXBOHZBKV-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.60
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 7613666) has the molecular formula C16H12Cl2N2OS2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
PubChem CID7613666
Molecular FormulaC16H12Cl2N2OS2
Molecular Weight383.33 g/mol
Exact Mass381.98
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c17-12-6-5-11(7-13(12)18)19-15(21)9-23-16-20-14-4-2-1-3-10(14)8-22-16/h1-7H,8-9H2,(H,19,21)
InChIKeyZHJQXOXBOHZBKV-UHFFFAOYSA-N
XLogP5.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 7613653
dimethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46626843
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7614149
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 7613662
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 51236734
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide (CID 7613666) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide is O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is ZHJQXOXBOHZBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS2/c17-12-6-5-11(7-13(12)18)19-15(21)9-23-16-20-14-4-2-1-3-10(14)8-22-16/h1-7H,8-9H2,(H,19,21).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 383.33 g/mol, XLogP of 5.60, 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-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 7613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).