2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide

C18H20BrNO5S — CID 166182044

IUPAC2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H20BrNO5S/c1-3-24-16-10-9-15(12-17(16)25-4-2)26(22,23)20-18(21)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyXICZXLWTYCLGSV-UHFFFAOYSA-N
MW442.33 g/mol
LogP3.29
Rot. Bonds8

About 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide

2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide (PubChem CID 166182044) has the molecular formula C18H20BrNO5S and a molecular weight of 442.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
PubChem CID166182044
Molecular FormulaC18H20BrNO5S
Molecular Weight442.33 g/mol
Exact Mass441.02
IUPAC Name2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H20BrNO5S/c1-3-24-16-10-9-15(12-17(16)25-4-2)26(22,23)20-18(21)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyXICZXLWTYCLGSV-UHFFFAOYSA-N
XLogP3.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
CID 166333511
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(4-chloro-3-fluorophenyl)acetamide
CID 166333513
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
methyl 3-(4-bromophenyl)-3-[(3,4-diethoxyphenyl)sulfonylamino]propanoate
CID 55434640
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
CID 166333549
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
2-(4-bromophenyl)-N-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]acetamide
CID 155967365
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide (CID 166182044) is 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide is CCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1OCC.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide?
The InChIKey is XICZXLWTYCLGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO5S/c1-3-24-16-10-9-15(12-17(16)25-4-2)26(22,23)20-18(21)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide?
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide has a molecular weight of 442.33 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 166182044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).