tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

C15H21F3N2O4S — CID 59536733

IUPACtert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)20-12(9-19-25(4,22)23)10-6-5-7-11(8-10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,20,21)
InChIKeyLUZCGEDMHLMDDZ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.82
Rot. Bonds5

About tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 59536733) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID59536733
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)20-12(9-19-25(4,22)23)10-6-5-7-11(8-10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,20,21)
InChIKeyLUZCGEDMHLMDDZ-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate (CID 59536733) is tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is LUZCGEDMHLMDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)20-12(9-19-25(4,22)23)10-6-5-7-11(8-10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 382.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methanesulfonamido)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 59536733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).