tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate

C15H21F3N2O4S — CID 113070895

IUPACtert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)19-9-10-20(25(4,22)23)12-8-6-5-7-11(12)15(16,17)18/h5-8H,9-10H2,1-4H3,(H,19,21)
InChIKeySKFRSTVPNMNSRB-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.00
Rot. Bonds5

About tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate

tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate (PubChem CID 113070895) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
PubChem CID113070895
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)19-9-10-20(25(4,22)23)12-8-6-5-7-11(12)15(16,17)18/h5-8H,9-10H2,1-4H3,(H,19,21)
InChIKeySKFRSTVPNMNSRB-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
tert-butyl N-[[2-[butyl(methylsulfonyl)amino]phenyl]methyl]carbamate
CID 118512508
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate (CID 113070895) is tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate?
The InChIKey is SKFRSTVPNMNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4S/c1-14(2,3)24-13(21)19-9-10-20(25(4,22)23)12-8-6-5-7-11(12)15(16,17)18/h5-8H,9-10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate?
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate has a molecular weight of 382.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate is sourced from PubChem (CID 113070895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).