N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide

C15H22N4O4S — CID 67438662

IUPACN-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2
InChIInChI=1S/C15H22N4O4S/c1-4-12(20)17-8-15(2,3)9-23-11-7-5-6-10-13(11)14(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeySCWJCZWFOPXIOW-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.99
Rot. Bonds6

About N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide

N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide (PubChem CID 67438662) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide
PubChem CID67438662
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC NameN-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2
InChIInChI=1S/C15H22N4O4S/c1-4-12(20)17-8-15(2,3)9-23-11-7-5-6-10-13(11)14(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeySCWJCZWFOPXIOW-UHFFFAOYSA-N
XLogP0.99
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide with MolForge

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Related Compounds

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 86730125
5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 71815910
tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 90372528
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propanoylamino)pyridine-4-carboxamide
CID 90372283
disodium;1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylheptan-3-one;5-(2,2-dimethylpropoxy)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine;hydride
CID 161325739
2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol
CID 71044266
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 90372512
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propylamino)pyridine-4-carboxamide
CID 174193433
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 85469556
4-[[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamoyl]pyridine-2-sulfinic acid
CID 90372511
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
CID 174193424
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 174193408

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide?
The IUPAC name of N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide (CID 67438662) is N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide?
The canonical SMILES for N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide is CCC(=O)NCC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)N2.
What is the InChIKey of N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide?
The InChIKey is SCWJCZWFOPXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-4-12(20)17-8-15(2,3)9-23-11-7-5-6-10-13(11)14(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide?
N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide has a molecular weight of 354.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 67438662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).