tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

C15H21F3N2O4S — CID 66671984

IUPACtert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)20(13(21)22)12(9-19-25(4,23)24)10-7-5-6-8-11(10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,21,22)
InChIKeyWSSIODLKMHBLLB-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 66671984) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID66671984
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)20(13(21)22)12(9-19-25(4,23)24)10-7-5-6-8-11(10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,21,22)
InChIKeyWSSIODLKMHBLLB-UHFFFAOYSA-N
XLogP3.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid
CID 66671631
[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646824
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
tert-butyl-[2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 118040903
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834
2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 115795993
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 59536927
4-amino-4-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66089774
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 66671984) is tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is CC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is WSSIODLKMHBLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4S/c1-14(2,3)20(13(21)22)12(9-19-25(4,23)24)10-7-5-6-8-11(10)15(16,17)18/h5-8,12,19H,9H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 382.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 66671984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).