N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide

C15H20ClF3N2O3S — CID 7937672

IUPACN-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-7-6-10(16)8-11(12)15(17,18)19/h6-8H,5,9H2,1-4H3,(H,20,22)
InChIKeyZDEDQTPZXOWFPX-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.28
Rot. Bonds5

About N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide

N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide (PubChem CID 7937672) has the molecular formula C15H20ClF3N2O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
PubChem CID7937672
Molecular FormulaC15H20ClF3N2O3S
Molecular Weight400.85 g/mol
Exact Mass400.08
IUPAC NameN-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-7-6-10(16)8-11(12)15(17,18)19/h6-8H,5,9H2,1-4H3,(H,20,22)
InChIKeyZDEDQTPZXOWFPX-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2548931
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 51169159
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 79378408
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide (CID 7937672) is N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The InChIKey is ZDEDQTPZXOWFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-7-6-10(16)8-11(12)15(17,18)19/h6-8H,5,9H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide has a molecular weight of 400.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 7937672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).