2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide

C18H19F3N2O3S — CID 42960098

IUPAC2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(2)16(13-6-4-3-5-7-13)23-27(25,26)15-10-8-14(9-11-15)22-17(24)18(19,20)21/h3-12,16,23H,1-2H3,(H,22,24)
InChIKeyYEZILTZVQQACQY-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.86
Rot. Bonds6

About 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide (PubChem CID 42960098) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
PubChem CID42960098
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(2)16(13-6-4-3-5-7-13)23-27(25,26)15-10-8-14(9-11-15)22-17(24)18(19,20)21/h3-12,16,23H,1-2H3,(H,22,24)
InChIKeyYEZILTZVQQACQY-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
[(1S,2S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430637
[(1R,2R)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430758
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide (CID 42960098) is 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide is CC(C)C(NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YEZILTZVQQACQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-12(2)16(13-6-4-3-5-7-13)23-27(25,26)15-10-8-14(9-11-15)22-17(24)18(19,20)21/h3-12,16,23H,1-2H3,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 42960098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).