N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide

C16H23N3O3S — CID 126852548

IUPACN-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)15(20)17-10-11-18-13-6-4-5-7-14(13)19(12-8-9-12)23(18,21)22/h4-7,12H,8-11H2,1-3H3,(H,17,20)
InChIKeyMGGWGYYNTHJTBQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 126852548) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID126852548
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)15(20)17-10-11-18-13-6-4-5-7-14(13)19(12-8-9-12)23(18,21)22/h4-7,12H,8-11H2,1-3H3,(H,17,20)
InChIKeyMGGWGYYNTHJTBQ-UHFFFAOYSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide (CID 126852548) is N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O.
What is the InChIKey of N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is MGGWGYYNTHJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2,3)15(20)17-10-11-18-13-6-4-5-7-14(13)19(12-8-9-12)23(18,21)22/h4-7,12H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 337.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126852548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).