2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide

C17H19BrN2O4S — CID 4234140

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-15-8-6-14(7-9-15)19-17(21)12(2)20-25(22,23)16-10-4-13(18)5-11-16/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyYHRNMCOFDGTOAA-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.15
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 4234140) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
PubChem CID4234140
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-24-15-8-6-14(7-9-15)19-17(21)12(2)20-25(22,23)16-10-4-13(18)5-11-16/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyYHRNMCOFDGTOAA-UHFFFAOYSA-N
XLogP3.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
ethyl 4-[[(2R)-2-[(4-bromophenyl)sulfonylamino]propanoyl]amino]benzoate
CID 1007981
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46794676
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 28549435
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1276265
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide (CID 4234140) is 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is YHRNMCOFDGTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-24-15-8-6-14(7-9-15)19-17(21)12(2)20-25(22,23)16-10-4-13(18)5-11-16/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 427.32 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 4234140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).