2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C14H20F3N3O3S — CID 68730839

IUPAC2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O3S/c1-4-5-8-19-24(22,23)13(2,3)12(21)20-11-7-6-10(9-18-11)14(15,16)17/h6-7,9,19H,4-5,8H2,1-3H3,(H,18,20,21)
InChIKeyILISRMFRRWTYDR-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.54
Rot. Bonds7

About 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 68730839) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID68730839
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O3S/c1-4-5-8-19-24(22,23)13(2,3)12(21)20-11-7-6-10(9-18-11)14(15,16)17/h6-7,9,19H,4-5,8H2,1-3H3,(H,18,20,21)
InChIKeyILISRMFRRWTYDR-UHFFFAOYSA-N
XLogP2.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 68730839) is 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CCCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is ILISRMFRRWTYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-4-5-8-19-24(22,23)13(2,3)12(21)20-11-7-6-10(9-18-11)14(15,16)17/h6-7,9,19H,4-5,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 367.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 68730839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).