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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Related Compounds

3-[(6-amino-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106280453
3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
3-[4-(but-3-yn-2-ylsulfamoyl)phenyl]propanoic acid
CID 114414836
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
2-[[6-[2-[4-(2,2-dimethylpropyl)phenyl]-1-(pyridin-2-ylsulfonylamino)ethyl]-2-pyridinyl]amino]acetic acid
CID 70815684
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920

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).