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

C15H23BrN2O3S — CID 113071547

IUPACN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-4-12(5-2)15(19)17-10-11-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyZYHWTGLRENJXDJ-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.77
Rot. Bonds8

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

N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (PubChem CID 113071547) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
PubChem CID113071547
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC NameN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-4-12(5-2)15(19)17-10-11-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyZYHWTGLRENJXDJ-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.77
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-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
3-(2-bromo-N-methylsulfonylanilino)propanoic acid
CID 50890506
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
N-(2-bromophenyl)-N-ethylmethanesulfonamide
CID 66980818
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
CID 113066227
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide (CID 113071547) is N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
The InChIKey is ZYHWTGLRENJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-4-12(5-2)15(19)17-10-11-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide?
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide has a molecular weight of 391.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113071547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).