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

C17H15ClN2OS2 — CID 7613662

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C17H15ClN2OS2/c1-11-13(18)6-4-8-14(11)19-16(21)10-23-17-20-15-7-3-2-5-12(15)9-22-17/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyALYPMASDDRYCBI-UHFFFAOYSA-N
MW362.91 g/mol
LogP5.25
Rot. Bonds3

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

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 7613662) 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-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID7613662
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C17H15ClN2OS2/c1-11-13(18)6-4-8-14(11)19-16(21)10-23-17-20-15-7-3-2-5-12(15)9-22-17/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyALYPMASDDRYCBI-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
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-(cyclopropylmethyl)acetamide
CID 47145612
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 1291133
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7754033

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide (CID 7613662) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CSC1=Nc2ccccc2CS1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is ALYPMASDDRYCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c1-11-13(18)6-4-8-14(11)19-16(21)10-23-17-20-15-7-3-2-5-12(15)9-22-17/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 362.91 g/mol, XLogP of 5.25, 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-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 7613662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).