N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide

C14H21BrN2O3S — CID 113052454

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
SMILESCCCCN(CCNS(=O)(=O)c1ccc(Br)cc1)C(C)=O
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-10-17(12(2)18)11-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyWAQIIXZYUIJJSV-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide (PubChem CID 113052454) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
PubChem CID113052454
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
SMILESCCCCN(CCNS(=O)(=O)c1ccc(Br)cc1)C(C)=O
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-10-17(12(2)18)11-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyWAQIIXZYUIJJSV-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052480
N-butyl-N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052499
N-butyl-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113052446
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057038
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide (CID 113052454) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide is CCCCN(CCNS(=O)(=O)c1ccc(Br)cc1)C(C)=O.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide?
The InChIKey is WAQIIXZYUIJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-4-10-17(12(2)18)11-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide has a molecular weight of 377.30 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide is sourced from PubChem (CID 113052454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).