2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide

C18H20N2OS — CID 8591921

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCSc3ccccc32)cc1C
InChIInChI=1S/C18H20N2OS/c1-13-7-8-15(11-14(13)2)19-18(21)12-20-9-10-22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyBHASZEVYZNCWBL-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.85
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 8591921) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID8591921
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCSc3ccccc32)cc1C
InChIInChI=1S/C18H20N2OS/c1-13-7-8-15(11-14(13)2)19-18(21)12-20-9-10-22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyBHASZEVYZNCWBL-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907134
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591940
N-(3,4-dimethylphenyl)-2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92502220
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4785670
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
CID 20955927
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8591987
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877804
N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591983

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide (CID 8591921) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is BHASZEVYZNCWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-7-8-15(11-14(13)2)19-18(21)12-20-9-10-22-17-6-4-3-5-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8591921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).