N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C17H24N4O3S2 — CID 22518161

IUPACN-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C17H24N4O3S2/c1-7-21(13-9-8-11(2)10-12(13)3)26(23,24)16-20-19-15(25-16)18-14(22)17(4,5)6/h8-10H,7H2,1-6H3,(H,18,19,22)
InChIKeyZEWFPSINKZEIOD-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.35
Rot. Bonds5

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

N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 22518161) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID22518161
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C17H24N4O3S2/c1-7-21(13-9-8-11(2)10-12(13)3)26(23,24)16-20-19-15(25-16)18-14(22)17(4,5)6/h8-10H,7H2,1-6H3,(H,18,19,22)
InChIKeyZEWFPSINKZEIOD-UHFFFAOYSA-N
XLogP3.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
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-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 22518161) is N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZEWFPSINKZEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-7-21(13-9-8-11(2)10-12(13)3)26(23,24)16-20-19-15(25-16)18-14(22)17(4,5)6/h8-10H,7H2,1-6H3,(H,18,19,22).
What are the key properties of N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 396.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 22518161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).