N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide

C16H23N3O4S — CID 75413169

IUPACN-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1NS(=O)(=O)c2ccccc2C1=O
InChIInChI=1S/C16H23N3O4S/c1-11(2)8-9-12(3)17-15(20)10-19-16(21)13-6-4-5-7-14(13)24(22,23)18-19/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyNGJJINFSAIKOFS-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.28
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide

N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide (PubChem CID 75413169) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
PubChem CID75413169
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1NS(=O)(=O)c2ccccc2C1=O
InChIInChI=1S/C16H23N3O4S/c1-11(2)8-9-12(3)17-15(20)10-19-16(21)13-6-4-5-7-14(13)24(22,23)18-19/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyNGJJINFSAIKOFS-UHFFFAOYSA-N
XLogP1.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)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-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 9103756
N-[2-(3-methylphenoxy)ethyl]-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 75401858
N-(4-phenylmethoxyphenyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 71904794
N-[(2R)-4-phenylbutan-2-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2364920
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
N-[(2R)-5-methylhexan-2-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 8882023
methyl (2R)-4-methyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]pentanoate
CID 9290754
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
N-[(1R)-1-cyclopropylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 9290775
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
3-[(3-methoxyphenyl)methyl]-1,1-dioxo-2H-1λ6,2,3-benzothiadiazin-4-one
CID 9100898
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide (CID 75413169) is N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide is CC(C)CCC(C)NC(=O)CN1NS(=O)(=O)c2ccccc2C1=O.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
The InChIKey is NGJJINFSAIKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11(2)8-9-12(3)17-15(20)10-19-16(21)13-6-4-5-7-14(13)24(22,23)18-19/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide?
N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 75413169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).