2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide

C14H20F3N3O3S — CID 119692461

IUPAC2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3N3O3S/c1-3-8-13(2,18)12(21)20-10-4-6-11(7-5-10)24(22,23)19-9-14(15,16)17/h4-7,19H,3,8-9,18H2,1-2H3,(H,20,21)
InChIKeyQMCQGUYOZNDQBX-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.98
Rot. Bonds7

About 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide

2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide (PubChem CID 119692461) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
PubChem CID119692461
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3N3O3S/c1-3-8-13(2,18)12(21)20-10-4-6-11(7-5-10)24(22,23)19-9-14(15,16)17/h4-7,19H,3,8-9,18H2,1-2H3,(H,20,21)
InChIKeyQMCQGUYOZNDQBX-UHFFFAOYSA-N
XLogP1.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide (CID 119692461) is 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide?
The InChIKey is QMCQGUYOZNDQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-3-8-13(2,18)12(21)20-10-4-6-11(7-5-10)24(22,23)19-9-14(15,16)17/h4-7,19H,3,8-9,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide?
2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide has a molecular weight of 367.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 119692461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).