tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate

C17H28N2O4S — CID 113069490

IUPACtert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCc1cc(C)c(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O4S/c1-12-10-13(2)15(14(3)11-12)19(24(7,21)22)9-8-18-16(20)23-17(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,20)
InChIKeyRZVUUVSOTDHYQJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate

tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113069490) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113069490
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Nametert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCc1cc(C)c(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O4S/c1-12-10-13(2)15(14(3)11-12)19(24(7,21)22)9-8-18-16(20)23-17(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,20)
InChIKeyRZVUUVSOTDHYQJ-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate 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 N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
CID 113072035
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069636
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate (CID 113069490) is tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate is Cc1cc(C)c(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is RZVUUVSOTDHYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-12-10-13(2)15(14(3)11-12)19(24(7,21)22)9-8-18-16(20)23-17(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate?
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 356.49 g/mol, XLogP of 2.90, 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-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113069490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).