N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide

C18H21BrN2O4S — CID 1287541

IUPACN-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-3-13(2)21-26(23,24)17-10-8-16(9-11-17)25-12-18(22)20-15-6-4-14(19)5-7-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyHMAWYTAGZBJCCL-CYBMUJFWSA-N
MW441.35 g/mol
LogP3.54
Rot. Bonds8

About N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide

N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (PubChem CID 1287541) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
PubChem CID1287541
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC NameN-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-3-13(2)21-26(23,24)17-10-8-16(9-11-17)25-12-18(22)20-15-6-4-14(19)5-7-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyHMAWYTAGZBJCCL-CYBMUJFWSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
CID 133163726

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (CID 1287541) is N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The InChIKey is HMAWYTAGZBJCCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-3-13(2)21-26(23,24)17-10-8-16(9-11-17)25-12-18(22)20-15-6-4-14(19)5-7-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide has a molecular weight of 441.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 1287541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).