4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide

C13H18F3N3O3S — CID 119692437

IUPAC4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3N3O3S/c1-17-8-2-3-12(20)19-10-4-6-11(7-5-10)23(21,22)18-9-13(14,15)16/h4-7,17-18H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyGMYLEKZIOKKOTK-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.47
Rot. Bonds8

About 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide

4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide (PubChem CID 119692437) has the molecular formula C13H18F3N3O3S and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
PubChem CID119692437
Molecular FormulaC13H18F3N3O3S
Molecular Weight353.37 g/mol
Exact Mass353.10
IUPAC Name4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3N3O3S/c1-17-8-2-3-12(20)19-10-4-6-11(7-5-10)23(21,22)18-9-13(14,15)16/h4-7,17-18H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyGMYLEKZIOKKOTK-UHFFFAOYSA-N
XLogP1.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide (CID 119692437) is 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide is CNCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The InChIKey is GMYLEKZIOKKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O3S/c1-17-8-2-3-12(20)19-10-4-6-11(7-5-10)23(21,22)18-9-13(14,15)16/h4-7,17-18H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide has a molecular weight of 353.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 119692437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).