N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C13H16N4O3S2 — CID 110779637

IUPACN-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C)c(C)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-4-5-11(6-9(8)2)7-14-22(19,20)13-17-16-12(21-13)15-10(3)18/h4-6,14H,7H2,1-3H3,(H,15,16,18)
InChIKeyUKWZXQJCAMDSDH-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.59
Rot. Bonds5

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

N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110779637) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110779637
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C)c(C)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-4-5-11(6-9(8)2)7-14-22(19,20)13-17-16-12(21-13)15-10(3)18/h4-6,14H,7H2,1-3H3,(H,15,16,18)
InChIKeyUKWZXQJCAMDSDH-UHFFFAOYSA-N
XLogP1.59
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110779637) is N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C)c(C)c2)s1.
What is the InChIKey of N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UKWZXQJCAMDSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8-4-5-11(6-9(8)2)7-14-22(19,20)13-17-16-12(21-13)15-10(3)18/h4-6,14H,7H2,1-3H3,(H,15,16,18).
What are the key properties of N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110779637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).