N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C18H18N2O2S — CID 110771530

IUPACN-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)c1C
InChIInChI=1S/C18H18N2O2S/c1-11-4-3-5-14(12(11)2)19-17(21)9-13-6-7-16-15(8-13)20-18(22)10-23-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVUKHXHWJANNCHZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.53
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771530) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771530
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)c1C
InChIInChI=1S/C18H18N2O2S/c1-11-4-3-5-14(12(11)2)19-17(21)9-13-6-7-16-15(8-13)20-18(22)10-23-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVUKHXHWJANNCHZ-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]butanamide
CID 126459575
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770570
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
CID 110784806
N-(2,3-dimethylphenyl)-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide
CID 92730645
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771530) is N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is Cc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is VUKHXHWJANNCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-4-3-5-14(12(11)2)19-17(21)9-13-6-7-16-15(8-13)20-18(22)10-23-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).