4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide

C16H22N2O2S — CID 20899630

IUPAC4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CC(C)Sc2ccccc21
InChIInChI=1S/C16H22N2O2S/c1-3-10-17-15(19)8-9-16(20)18-11-12(2)21-14-7-5-4-6-13(14)18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyVMHNWPWKOHYQAY-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.82
Rot. Bonds5

About 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide

4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide (PubChem CID 20899630) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
PubChem CID20899630
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CC(C)Sc2ccccc21
InChIInChI=1S/C16H22N2O2S/c1-3-10-17-15(19)8-9-16(20)18-11-12(2)21-14-7-5-4-6-13(14)18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyVMHNWPWKOHYQAY-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899617
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899639
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899624
1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
CID 20899611
1-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 97008361
1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one
CID 71856449
N-ethyl-2-methyl-N-[3-(methylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 167778592
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
CID 97305910
1-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-3-(4-nitropyrazol-1-yl)propan-1-one
CID 97053553
2-(2-methoxyphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738067
1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 71972315

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide (CID 20899630) is 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CC(C)Sc2ccccc21.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide?
The InChIKey is VMHNWPWKOHYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-10-17-15(19)8-9-16(20)18-11-12(2)21-14-7-5-4-6-13(14)18/h4-7,12H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide?
4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide has a molecular weight of 306.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 20899630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).