2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide

C12H20N4O3S — CID 133326821

IUPAC2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNc1ncccc1S(N)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)11(17)16-8-7-15-10-9(20(13,18)19)5-4-6-14-10/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyFOMCJBQTBLJODW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.30
Rot. Bonds5

About 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide (PubChem CID 133326821) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide
PubChem CID133326821
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNc1ncccc1S(N)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)11(17)16-8-7-15-10-9(20(13,18)19)5-4-6-14-10/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyFOMCJBQTBLJODW-UHFFFAOYSA-N
XLogP0.30
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
CID 133434864
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
CID 133332314
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
CID 133308376
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
CID 53151392

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide (CID 133326821) is 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCCNc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide?
The InChIKey is FOMCJBQTBLJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-12(2,3)11(17)16-8-7-15-10-9(20(13,18)19)5-4-6-14-10/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide is sourced from PubChem (CID 133326821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).