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

C17H28N2O3S — CID 113069165

IUPAC2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-14(6-2)17(20)18-12-13-19(23(4,21)22)16-11-9-8-10-15(16)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)
InChIKeyZNUZRVUNNPDVTP-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.57
Rot. Bonds9

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

2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide (PubChem CID 113069165) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
PubChem CID113069165
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-14(6-2)17(20)18-12-13-19(23(4,21)22)16-11-9-8-10-15(16)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)
InChIKeyZNUZRVUNNPDVTP-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071074

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide (CID 113069165) is 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide is CCc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide?
The InChIKey is ZNUZRVUNNPDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-14(6-2)17(20)18-12-13-19(23(4,21)22)16-11-9-8-10-15(16)7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20).
What are the key properties of 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide?
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide has a molecular weight of 340.49 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide is sourced from PubChem (CID 113069165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).