2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide

C7H10N4O4S2 — CID 54499884

IUPAC2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(CC(=O)c1nncs1)(C(N)=O)S(N)(=O)=O
InChIInChI=1S/C7H10N4O4S2/c1-7(6(8)13,17(9,14)15)2-4(12)5-11-10-3-16-5/h3H,2H2,1H3,(H2,8,13)(H2,9,14,15)
InChIKeyYBRLHPGDTVXZOC-UHFFFAOYSA-N
MW278.31 g/mol
LogP-1.36
Rot. Bonds5

About 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide

2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 54499884) has the molecular formula C7H10N4O4S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID54499884
Molecular FormulaC7H10N4O4S2
Molecular Weight278.31 g/mol
Exact Mass278.01
IUPAC Name2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(CC(=O)c1nncs1)(C(N)=O)S(N)(=O)=O
InChIInChI=1S/C7H10N4O4S2/c1-7(6(8)13,17(9,14)15)2-4(12)5-11-10-3-16-5/h3H,2H2,1H3,(H2,8,13)(H2,9,14,15)
InChIKeyYBRLHPGDTVXZOC-UHFFFAOYSA-N
XLogP-1.36
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide (CID 54499884) is 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide is CC(CC(=O)c1nncs1)(C(N)=O)S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is YBRLHPGDTVXZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S2/c1-7(6(8)13,17(9,14)15)2-4(12)5-11-10-3-16-5/h3H,2H2,1H3,(H2,8,13)(H2,9,14,15).
What are the key properties of 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide?
2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 278.31 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2-sulfamoyl-4-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 54499884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).