N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide

C25H24N2O2S — CID 22426780

IUPACN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(C2=Nc3ccccc3SC2CC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C25H24N2O2S/c1-16-8-13-20(17(2)14-16)26-24(28)15-23-25(18-9-11-19(29-3)12-10-18)27-21-6-4-5-7-22(21)30-23/h4-14,23H,15H2,1-3H3,(H,26,28)
InChIKeyRXDGHWOIOJTXNF-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.94
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 22426780) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
PubChem CID22426780
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(C2=Nc3ccccc3SC2CC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C25H24N2O2S/c1-16-8-13-20(17(2)14-16)26-24(28)15-23-25(18-9-11-19(29-3)12-10-18)27-21-6-4-5-7-22(21)30-23/h4-14,23H,15H2,1-3H3,(H,26,28)
InChIKeyRXDGHWOIOJTXNF-UHFFFAOYSA-N
XLogP5.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
CID 92700482
N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824765
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859781
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4879034

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide (CID 22426780) is N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide is COc1ccc(C2=Nc3ccccc3SC2CC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is RXDGHWOIOJTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-16-8-13-20(17(2)14-16)26-24(28)15-23-25(18-9-11-19(29-3)12-10-18)27-21-6-4-5-7-22(21)30-23/h4-14,23H,15H2,1-3H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 22426780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).