N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide

C15H20ClF3N2O3S — CID 2104383

IUPACN-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-8-10(15(17,18)19)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,20,22)
InChIKeyBUZPMPMQQPUUOH-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.28
Rot. Bonds5

About N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide

N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide (PubChem CID 2104383) has the molecular formula C15H20ClF3N2O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
PubChem CID2104383
Molecular FormulaC15H20ClF3N2O3S
Molecular Weight400.85 g/mol
Exact Mass400.08
IUPAC NameN-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-8-10(15(17,18)19)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,20,22)
InChIKeyBUZPMPMQQPUUOH-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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide (CID 2104383) is N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
The InChIKey is BUZPMPMQQPUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O3S/c1-5-21(9-13(22)20-14(2,3)4)25(23,24)12-8-10(15(17,18)19)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide?
N-tert-butyl-2-[[2-chloro-5-(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-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 2104383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).