N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide

C19H20N2O2S — CID 124619907

IUPACN-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2c3ccccc3SC[C@H]2C)c1C
InChIInChI=1S/C19H20N2O2S/c1-12-11-24-18-10-5-4-9-17(18)21(12)19(23)15-7-6-8-16(13(15)2)20-14(3)22/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyYZZVWGDZGPRWNN-GFCCVEGCSA-N
MW340.45 g/mol
LogP4.09
Rot. Bonds2

About N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide

N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide (PubChem CID 124619907) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide
PubChem CID124619907
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2c3ccccc3SC[C@H]2C)c1C
InChIInChI=1S/C19H20N2O2S/c1-12-11-24-18-10-5-4-9-17(18)21(12)19(23)15-7-6-8-16(13(15)2)20-14(3)22/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyYZZVWGDZGPRWNN-GFCCVEGCSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloropyrimidin-4-yl)-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 124610868
N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
CID 110746285
2-(3,4-dimethoxyphenyl)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110746276
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 41066106
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768
N-(3-amino-2-methylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213650
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
CID 166252935
3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 53125829
N-(2,3-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875258
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
CID 121200746

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide (CID 124619907) is N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2c3ccccc3SC[C@H]2C)c1C.
What is the InChIKey of N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide?
The InChIKey is YZZVWGDZGPRWNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-11-24-18-10-5-4-9-17(18)21(12)19(23)15-7-6-8-16(13(15)2)20-14(3)22/h4-10,12H,11H2,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide?
N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl]phenyl]acetamide is sourced from PubChem (CID 124619907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).