4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide

C13H19BrN2O4S — CID 113065961

IUPAC4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O4S/c1-20-10-9-16(21(2,18)19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyJEVNHKKKZRJWEA-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.09
Rot. Bonds8

About 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide

4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113065961) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113065961
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O4S/c1-20-10-9-16(21(2,18)19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyJEVNHKKKZRJWEA-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide (CID 113065961) is 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide is COCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is JEVNHKKKZRJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-20-10-9-16(21(2,18)19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide?
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 379.28 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113065961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).