N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide

C13H22N2O5S2 — CID 113070587

IUPACN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
SMILESCCOc1ccccc1N(CCNS(=O)(=O)CC)S(C)(=O)=O
InChIInChI=1S/C13H22N2O5S2/c1-4-20-13-9-7-6-8-12(13)15(21(3,16)17)11-10-14-22(18,19)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyDZCODFHMEONZID-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.79
Rot. Bonds9

About N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide

N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide (PubChem CID 113070587) has the molecular formula C13H22N2O5S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
PubChem CID113070587
Molecular FormulaC13H22N2O5S2
Molecular Weight350.46 g/mol
Exact Mass350.10
IUPAC NameN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
SMILESCCOc1ccccc1N(CCNS(=O)(=O)CC)S(C)(=O)=O
InChIInChI=1S/C13H22N2O5S2/c1-4-20-13-9-7-6-8-12(13)15(21(3,16)17)11-10-14-22(18,19)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyDZCODFHMEONZID-UHFFFAOYSA-N
XLogP0.79
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113070411
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide (CID 113070587) is N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide is CCOc1ccccc1N(CCNS(=O)(=O)CC)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The InChIKey is DZCODFHMEONZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S2/c1-4-20-13-9-7-6-8-12(13)15(21(3,16)17)11-10-14-22(18,19)5-2/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide has a molecular weight of 350.46 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide is sourced from PubChem (CID 113070587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).