2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide

C17H15ClN2OS2 — CID 51236734

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2OS2/c18-14-6-3-4-12(8-14)9-19-16(21)11-23-17-20-15-7-2-1-5-13(15)10-22-17/h1-8H,9-11H2,(H,19,21)
InChIKeyQDTJQFCCXSLWKB-UHFFFAOYSA-N
MW362.91 g/mol
LogP4.62
Rot. Bonds4

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 51236734) 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-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID51236734
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2OS2/c18-14-6-3-4-12(8-14)9-19-16(21)11-23-17-20-15-7-2-1-5-13(15)10-22-17/h1-8H,9-11H2,(H,19,21)
InChIKeyQDTJQFCCXSLWKB-UHFFFAOYSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 7613662
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7449010
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7420135
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7845114
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 78763056
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895376
N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288792
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide (CID 51236734) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide is O=C(CSC1=Nc2ccccc2CS1)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is QDTJQFCCXSLWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c18-14-6-3-4-12(8-14)9-19-16(21)11-23-17-20-15-7-2-1-5-13(15)10-22-17/h1-8H,9-11H2,(H,19,21).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 362.91 g/mol, XLogP of 4.62, 4 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-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 51236734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).