tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate

C16H26N2O5S — CID 113070581

IUPACtert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOc1ccccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-6-22-14-10-8-7-9-13(14)18(24(5,20)21)12-11-17-15(19)23-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyOAYWCJMAUVVDMA-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.38
Rot. Bonds7

About tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate

tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113070581) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113070581
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Nametert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOc1ccccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-6-22-14-10-8-7-9-13(14)18(24(5,20)21)12-11-17-15(19)23-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyOAYWCJMAUVVDMA-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(2-ethoxy-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

N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
tert-butyl N-[[2-[butyl(methylsulfonyl)amino]phenyl]methyl]carbamate
CID 118512508
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate (CID 113070581) is tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate is CCOc1ccccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is OAYWCJMAUVVDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-6-22-14-10-8-7-9-13(14)18(24(5,20)21)12-11-17-15(19)23-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 358.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113070581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).