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

C17H28N2O4S — CID 113070548

IUPACN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCOc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-5-14(6-2)17(20)18-12-13-19(24(4,21)22)15-10-8-9-11-16(15)23-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)
InChIKeyIKFKFACVCZNJBQ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.40
Rot. Bonds10

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

N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (PubChem CID 113070548) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
PubChem CID113070548
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCOc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-5-14(6-2)17(20)18-12-13-19(24(4,21)22)15-10-8-9-11-16(15)23-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)
InChIKeyIKFKFACVCZNJBQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
2-[benzyl-[4-(2-ethoxy-N-methylsulfonylanilino)butanoyl]amino]-N-propylbutanamide
CID 132682625
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (CID 113070548) is N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is CCOc1ccccc1N(CCNC(=O)C(CC)CC)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The InChIKey is IKFKFACVCZNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-14(6-2)17(20)18-12-13-19(24(4,21)22)15-10-8-9-11-16(15)23-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide has a molecular weight of 356.49 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113070548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).