N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide

C13H20N2O3S — CID 113069155

IUPACN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCCc1ccccc1N(CCNC(C)=O)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-12-7-5-6-8-13(12)15(19(3,17)18)10-9-14-11(2)16/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyYJHRIRBDDPMEFQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide

N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113069155) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113069155
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCCc1ccccc1N(CCNC(C)=O)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-12-7-5-6-8-13(12)15(19(3,17)18)10-9-14-11(2)16/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyYJHRIRBDDPMEFQ-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
methyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113071138
ethyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113072126
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide (CID 113069155) is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide is CCc1ccccc1N(CCNC(C)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is YJHRIRBDDPMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-12-7-5-6-8-13(12)15(19(3,17)18)10-9-14-11(2)16/h5-8H,4,9-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide?
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113069155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).