2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide

C18H21BrN2O4S — CID 17482935

IUPAC2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O4S/c1-2-3-11-20-26(23,24)17-6-4-5-15(12-17)21-18(22)13-25-16-9-7-14(19)8-10-16/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyKTWPMEIKPKRRSQ-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.55
Rot. Bonds9

About 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide

2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide (PubChem CID 17482935) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
PubChem CID17482935
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O4S/c1-2-3-11-20-26(23,24)17-6-4-5-15(12-17)21-18(22)13-25-16-9-7-14(19)8-10-16/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyKTWPMEIKPKRRSQ-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 4046445
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1371979
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide (CID 17482935) is 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide?
The InChIKey is KTWPMEIKPKRRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-2-3-11-20-26(23,24)17-6-4-5-15(12-17)21-18(22)13-25-16-9-7-14(19)8-10-16/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17482935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).