2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide

C14H21BrN2O3S — CID 62856650

IUPAC2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-13(15)14(18)16-11-8-7-9-12(10-11)21(19,20)17(5-2)6-3/h7-10,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyIDRAVFKHQLVDQL-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.83
Rot. Bonds7

About 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide

2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide (PubChem CID 62856650) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
PubChem CID62856650
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-13(15)14(18)16-11-8-7-9-12(10-11)21(19,20)17(5-2)6-3/h7-10,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyIDRAVFKHQLVDQL-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
2-bromo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 62855752
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
3-(2-bromobutanoylamino)benzoic acid
CID 62854835
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
N-[3-(diethylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 16551934
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide (CID 62856650) is 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide is CCC(Br)C(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide?
The InChIKey is IDRAVFKHQLVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-4-13(15)14(18)16-11-8-7-9-12(10-11)21(19,20)17(5-2)6-3/h7-10,13H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide?
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide has a molecular weight of 377.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 62856650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).