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

C14H16N4O5S2 — CID 110371291

IUPACN-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H16N4O5S2/c1-9(19)16-13-17-18-14(24-13)25(20,21)15-6-2-3-10-4-5-11-12(7-10)23-8-22-11/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17,19)
InChIKeyOMERFOFYILVRON-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.14
Rot. Bonds7

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

N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110371291) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110371291
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC NameN-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H16N4O5S2/c1-9(19)16-13-17-18-14(24-13)25(20,21)15-6-2-3-10-4-5-11-12(7-10)23-8-22-11/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17,19)
InChIKeyOMERFOFYILVRON-UHFFFAOYSA-N
XLogP1.14
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[5-[3-(3,4-dimethoxyphenyl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100520564
4-methyl-N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100563510
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-methyl-N-[5-[3-(4-propan-2-ylphenyl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100514267
N-[5-(1,3-benzodioxol-5-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100517295
(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
CID 14620802
14-(1,3-benzodioxol-5-yl)tetradecan-2-one
CID 11325048
8-(1,3-benzodioxol-5-yl)octan-2-one
CID 529778
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dichlorophenyl)sulfonylamino]butanamide
CID 36804440
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
1-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]propan-2-one
CID 22367118

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110371291) is N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OMERFOFYILVRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c1-9(19)16-13-17-18-14(24-13)25(20,21)15-6-2-3-10-4-5-11-12(7-10)23-8-22-11/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17,19).
What are the key properties of N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1,3-benzodioxol-5-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110371291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).