methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate

C14H22N2O4S — CID 113069326

IUPACmethyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCc1cccc(C)c1N(CCNC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-12-8-6-7-11(2)13(12)16(21(4,18)19)10-9-15-14(17)20-3/h6-8H,5,9-10H2,1-4H3,(H,15,17)
InChIKeyGGOKQZJHPZDQBE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.68
Rot. Bonds6

About methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate

methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113069326) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113069326
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Namemethyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCCc1cccc(C)c1N(CCNC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-12-8-6-7-11(2)13(12)16(21(4,18)19)10-9-15-14(17)20-3/h6-8H,5,9-10H2,1-4H3,(H,15,17)
InChIKeyGGOKQZJHPZDQBE-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
CID 113072035
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
methyl N-[2-(3-bromo-N-methylsulfonylanilino)ethyl]carbamate
CID 113071573
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate (CID 113069326) is methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate is CCc1cccc(C)c1N(CCNC(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is GGOKQZJHPZDQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-12-8-6-7-11(2)13(12)16(21(4,18)19)10-9-15-14(17)20-3/h6-8H,5,9-10H2,1-4H3,(H,15,17).
What are the key properties of methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate?
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 314.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113069326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).