2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

C18H19N3O3S — CID 51661460

IUPAC2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(14-7-3-2-4-8-14)12-19-18(22)11-17-20-15-9-5-6-10-16(15)25(23,24)21-17/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyQPTWVZFJBNCGFX-ZDUSSCGKSA-N
MW357.44 g/mol
LogP2.51
Rot. Bonds5

About 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 51661460) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID51661460
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(14-7-3-2-4-8-14)12-19-18(22)11-17-20-15-9-5-6-10-16(15)25(23,24)21-17/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyQPTWVZFJBNCGFX-ZDUSSCGKSA-N
XLogP2.51
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide with MolForge

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Related Compounds

3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
CID 20921954
N-[(2S)-2-phenylpropyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 8708927
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
(1R)-2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylsulfanyl]-1-phenylethanol
CID 94819002
N-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
CID 166401129
2-[1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl]-N-(3-methylbutyl)acetamide
CID 22588563
(2R)-3-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-2-methylpropanoic acid
CID 10968594
2-[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2135211
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[3-(N-ethylanilino)propyl]propanamide
CID 45499127
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9456944
2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
CID 144787004

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (CID 51661460) is 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is QPTWVZFJBNCGFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(14-7-3-2-4-8-14)12-19-18(22)11-17-20-15-9-5-6-10-16(15)25(23,24)21-17/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 51661460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).