N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

C15H20N4O3S2 — CID 22517965

IUPACN-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N(CC(C)C)c2ccccc2)s1
InChIInChI=1S/C15H20N4O3S2/c1-4-13(20)16-14-17-18-15(23-14)24(21,22)19(10-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,20)
InChIKeyZHXKAKNKKGYNKA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.74
Rot. Bonds7

About N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 22517965) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID22517965
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC NameN-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N(CC(C)C)c2ccccc2)s1
InChIInChI=1S/C15H20N4O3S2/c1-4-13(20)16-14-17-18-15(23-14)24(21,22)19(10-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,20)
InChIKeyZHXKAKNKKGYNKA-UHFFFAOYSA-N
XLogP2.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.74
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-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 22517965) is N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)N(CC(C)C)c2ccccc2)s1.
What is the InChIKey of N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZHXKAKNKKGYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-4-13(20)16-14-17-18-15(23-14)24(21,22)19(10-11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,20).
What are the key properties of N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-methylpropyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 22517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).