2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide

C17H26N4O3S2 — CID 3237259

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C17H26N4O3S2/c1-4-6-8-13(5-2)11-18-16(22)12-21(3)26(23,24)15-10-7-9-14-17(15)20-25-19-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,22)
InChIKeyQUGWPQDILZTLSE-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.64
Rot. Bonds10

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide (PubChem CID 3237259) has the molecular formula C17H26N4O3S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide
PubChem CID3237259
Molecular FormulaC17H26N4O3S2
Molecular Weight398.55 g/mol
Exact Mass398.14
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C17H26N4O3S2/c1-4-6-8-13(5-2)11-18-16(22)12-21(3)26(23,24)15-10-7-9-14-17(15)20-25-19-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,22)
InChIKeyQUGWPQDILZTLSE-UHFFFAOYSA-N
XLogP2.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide (CID 3237259) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide?
The InChIKey is QUGWPQDILZTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S2/c1-4-6-8-13(5-2)11-18-16(22)12-21(3)26(23,24)15-10-7-9-14-17(15)20-25-19-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,22).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide has a molecular weight of 398.55 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 3237259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).