2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide

C19H23ClN2O4S — CID 126203239

IUPAC2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-14(3)22-27(24,25)17-9-7-16(8-10-17)26-12-19(23)21-18-11-15(20)6-5-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyZUKZDNLLHCFFFO-CQSZACIVSA-N
MW410.92 g/mol
LogP3.74
Rot. Bonds8

About 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 126203239) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID126203239
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-14(3)22-27(24,25)17-9-7-16(8-10-17)26-12-19(23)21-18-11-15(20)6-5-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyZUKZDNLLHCFFFO-CQSZACIVSA-N
XLogP3.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 11837025
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide (CID 126203239) is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is ZUKZDNLLHCFFFO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-14(3)22-27(24,25)17-9-7-16(8-10-17)26-12-19(23)21-18-11-15(20)6-5-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide?
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 126203239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).