tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate

C16H26N2O5S — CID 113070634

IUPACtert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOc1ccc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-6-22-14-9-7-13(8-10-14)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)
InChIKeyLSBLIMADKWJHJR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.38
Rot. Bonds7

About tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate

tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113070634) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113070634
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Nametert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOc1ccc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-6-22-14-9-7-13(8-10-14)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)
InChIKeyLSBLIMADKWJHJR-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

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Related Compounds

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069636
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
methyl 4-[2-(methoxycarbonylamino)ethyl-methylsulfonylamino]benzoate
CID 113071235
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate (CID 113070634) is tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate is CCOc1ccc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is LSBLIMADKWJHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-6-22-14-9-7-13(8-10-14)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-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate?
tert-butyl N-[2-(4-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-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113070634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).