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

C14H20N4O3S2 — CID 3237330

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H20N4O3S2/c1-10(2)7-8-15-13(19)9-18(3)23(20,21)12-6-4-5-11-14(12)17-22-16-11/h4-6,10H,7-9H2,1-3H3,(H,15,19)
InChIKeyBYYVUPFKOSQJLJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.47
Rot. Bonds7

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

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide (PubChem CID 3237330) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide
PubChem CID3237330
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H20N4O3S2/c1-10(2)7-8-15-13(19)9-18(3)23(20,21)12-6-4-5-11-14(12)17-22-16-11/h4-6,10H,7-9H2,1-3H3,(H,15,19)
InChIKeyBYYVUPFKOSQJLJ-UHFFFAOYSA-N
XLogP1.47
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.47
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide (CID 3237330) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide?
The InChIKey is BYYVUPFKOSQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-10(2)7-8-15-13(19)9-18(3)23(20,21)12-6-4-5-11-14(12)17-22-16-11/h4-6,10H,7-9H2,1-3H3,(H,15,19).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(3-methylbutyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.47, 7 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 3237330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).