2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

C20H25BrN2O5S — CID 28566038

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c(Br)c1
InChIInChI=1S/C20H25BrN2O5S/c1-5-14-6-8-18(16(21)10-14)28-12-20(24)22-17-11-15(7-9-19(17)27-4)29(25,26)23-13(2)3/h6-11,13,23H,5,12H2,1-4H3,(H,22,24)
InChIKeyCGTXOTADBXVSNF-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.72
Rot. Bonds9

About 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 28566038) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID28566038
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c(Br)c1
InChIInChI=1S/C20H25BrN2O5S/c1-5-14-6-8-18(16(21)10-14)28-12-20(24)22-17-11-15(7-9-19(17)27-4)29(25,26)23-13(2)3/h6-11,13,23H,5,12H2,1-4H3,(H,22,24)
InChIKeyCGTXOTADBXVSNF-UHFFFAOYSA-N
XLogP3.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide with MolForge

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Related Compounds

N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2230108
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 100602358
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015110
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 28566038) is 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CGTXOTADBXVSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-5-14-6-8-18(16(21)10-14)28-12-20(24)22-17-11-15(7-9-19(17)27-4)29(25,26)23-13(2)3/h6-11,13,23H,5,12H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 485.40 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 28566038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).