N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide

C17H28N2O3S — CID 113069035

IUPACN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-15(7-2)17(20)18-11-12-19(23(5,21)22)16-13(3)9-8-10-14(16)4/h8-10,15H,6-7,11-12H2,1-5H3,(H,18,20)
InChIKeyBNRIKQXUJILGMI-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.62
Rot. Bonds8

About N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide

N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (PubChem CID 113069035) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
PubChem CID113069035
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-15(7-2)17(20)18-11-12-19(23(5,21)22)16-13(3)9-8-10-14(16)4/h8-10,15H,6-7,11-12H2,1-5H3,(H,18,20)
InChIKeyBNRIKQXUJILGMI-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
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
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (CID 113069035) is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(c1c(C)cccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The InChIKey is BNRIKQXUJILGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-15(7-2)17(20)18-11-12-19(23(5,21)22)16-13(3)9-8-10-14(16)4/h8-10,15H,6-7,11-12H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide has a molecular weight of 340.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).