N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide

C22H21BrN2O4S — CID 2942339

IUPACN-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O4S/c1-16(17-7-3-2-4-8-17)25-30(27,28)19-13-11-18(12-14-19)29-15-22(26)24-21-10-6-5-9-20(21)23/h2-14,16,25H,15H2,1H3,(H,24,26)
InChIKeyJWQZWQZNAFNDKG-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.51
Rot. Bonds8

About N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide

N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 2942339) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID2942339
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O4S/c1-16(17-7-3-2-4-8-17)25-30(27,28)19-13-11-18(12-14-19)29-15-22(26)24-21-10-6-5-9-20(21)23/h2-14,16,25H,15H2,1H3,(H,24,26)
InChIKeyJWQZWQZNAFNDKG-UHFFFAOYSA-N
XLogP4.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 100801070
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (CID 2942339) is N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is CC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1)c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is JWQZWQZNAFNDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-16(17-7-3-2-4-8-17)25-30(27,28)19-13-11-18(12-14-19)29-15-22(26)24-21-10-6-5-9-20(21)23/h2-14,16,25H,15H2,1H3,(H,24,26).
What are the key properties of N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 489.39 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2942339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).