ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate

C13H20N2O4S — CID 113068739

IUPACethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-13(16)14-9-10-15(20(3,17)18)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyLQGYPYXCEOIKTR-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.51
Rot. Bonds6

About ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate

ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113068739) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113068739
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-13(16)14-9-10-15(20(3,17)18)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyLQGYPYXCEOIKTR-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
ethyl 4-[methylsulfonyl-[2-(propanoylamino)ethyl]amino]benzoate
CID 113071784
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
methyl 4-[2-(methoxycarbonylamino)ethyl-methylsulfonylamino]benzoate
CID 113071235
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069636
2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068703
ethyl N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]carbamate
CID 113072200
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate (CID 113068739) is ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate is CCOC(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is LQGYPYXCEOIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-13(16)14-9-10-15(20(3,17)18)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,14,16).
What are the key properties of ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate?
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 300.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113068739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).