3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide

C14H20N4O3S — CID 154772400

IUPAC3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide
SMILESC#CC(C)NS(=O)(=O)c1cccc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C14H20N4O3S/c1-5-10(2)18-22(20,21)12-8-6-7-11(17-12)16-9-14(3,4)13(15)19/h1,6-8,10,18H,9H2,2-4H3,(H2,15,19)(H,16,17)
InChIKeySYOFKBAJWCNMTB-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.31
Rot. Bonds7

About 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide

3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide (PubChem CID 154772400) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide
PubChem CID154772400
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide
SMILESC#CC(C)NS(=O)(=O)c1cccc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C14H20N4O3S/c1-5-10(2)18-22(20,21)12-8-6-7-11(17-12)16-9-14(3,4)13(15)19/h1,6-8,10,18H,9H2,2-4H3,(H2,15,19)(H,16,17)
InChIKeySYOFKBAJWCNMTB-UHFFFAOYSA-N
XLogP0.31
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide (CID 154772400) is 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide is C#CC(C)NS(=O)(=O)c1cccc(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The InChIKey is SYOFKBAJWCNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-5-10(2)18-22(20,21)12-8-6-7-11(17-12)16-9-14(3,4)13(15)19/h1,6-8,10,18H,9H2,2-4H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide?
3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide has a molecular weight of 324.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(but-3-yn-2-ylsulfamoyl)-2-pyridinyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 154772400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).