N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide

C12H11N3O5S2 — CID 23969965

IUPACN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
SMILESCc1nnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H11N3O5S2/c1-7-14-15-12(21-7)22(17,18)5-11(16)13-8-2-3-9-10(4-8)20-6-19-9/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyUOATUVMYMXUYHJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.99
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide (PubChem CID 23969965) has the molecular formula C12H11N3O5S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
PubChem CID23969965
Molecular FormulaC12H11N3O5S2
Molecular Weight341.37 g/mol
Exact Mass341.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
SMILESCc1nnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H11N3O5S2/c1-7-14-15-12(21-7)22(17,18)5-11(16)13-8-2-3-9-10(4-8)20-6-19-9/h2-4H,5-6H2,1H3,(H,13,16)
InChIKeyUOATUVMYMXUYHJ-UHFFFAOYSA-N
XLogP0.99
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 5166921
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784543
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
N-(1,3-benzodioxol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2660680
1-(1,3-benzodioxol-5-yl)-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]urea
CID 72843577
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954881

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide (CID 23969965) is N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide is Cc1nnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The InChIKey is UOATUVMYMXUYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S2/c1-7-14-15-12(21-7)22(17,18)5-11(16)13-8-2-3-9-10(4-8)20-6-19-9/h2-4H,5-6H2,1H3,(H,13,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 23969965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).