2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C14H20F3N3O3S — CID 68731806

IUPAC2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-4-5-9-18-24(22,23)13(2,3)12(21)20-11-8-6-7-10(19-11)14(15,16)17/h6-8,18H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyGJHKYPIOLCVQBL-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.54
Rot. Bonds7

About 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 68731806) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID68731806
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-4-5-9-18-24(22,23)13(2,3)12(21)20-11-8-6-7-10(19-11)14(15,16)17/h6-8,18H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyGJHKYPIOLCVQBL-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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Related Compounds

2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68730839
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 67043617
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 87305835
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 64699610
2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 71128974
(2R)-2-(cyclopropylmethoxy)-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 95303143
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
(2S,3S)-3-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 120964651
(2R)-2-methoxy-2-phenyl-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 95597244

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 68731806) is 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCCCNS(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is GJHKYPIOLCVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-4-5-9-18-24(22,23)13(2,3)12(21)20-11-8-6-7-10(19-11)14(15,16)17/h6-8,18H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(butylsulfamoyl)-2-methyl-N-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 68731806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).