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

C13H16N4O3S2 — CID 93191756

IUPACN-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C13H16N4O3S2/c1-10(18)15-12-16-17-13(21-12)22(19,20)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,18)
InChIKeyGMHAOBOXYQEWMP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.41
Rot. Bonds7

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

N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 93191756) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID93191756
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C13H16N4O3S2/c1-10(18)15-12-16-17-13(21-12)22(19,20)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,18)
InChIKeyGMHAOBOXYQEWMP-UHFFFAOYSA-N
XLogP1.41
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 93191756) is N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1.
What is the InChIKey of N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GMHAOBOXYQEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-10(18)15-12-16-17-13(21-12)22(19,20)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,18).
What are the key properties of N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 93191756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).