2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C18H17ClN2OS2 — CID 7614149

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSC2=Nc3ccccc3CS2)c(Cl)c1
InChIInChI=1S/C18H17ClN2OS2/c1-11-7-12(2)17(14(19)8-11)21-16(22)10-24-18-20-15-6-4-3-5-13(15)9-23-18/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyDICKGIIMYYDNAV-UHFFFAOYSA-N
MW376.93 g/mol
LogP5.56
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 7614149) has the molecular formula C18H17ClN2OS2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID7614149
Molecular FormulaC18H17ClN2OS2
Molecular Weight376.93 g/mol
Exact Mass376.05
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSC2=Nc3ccccc3CS2)c(Cl)c1
InChIInChI=1S/C18H17ClN2OS2/c1-11-7-12(2)17(14(19)8-11)21-16(22)10-24-18-20-15-6-4-3-5-13(15)9-23-18/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyDICKGIIMYYDNAV-UHFFFAOYSA-N
XLogP5.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
CID 7613666
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
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
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 136686058
2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237551
N-(2-chloro-4,6-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2460296
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948145

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 7614149) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSC2=Nc3ccccc3CS2)c(Cl)c1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is DICKGIIMYYDNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS2/c1-11-7-12(2)17(14(19)8-11)21-16(22)10-24-18-20-15-6-4-3-5-13(15)9-23-18/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 376.93 g/mol, XLogP of 5.56, 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-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 7614149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).