2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide

C18H20Cl2N2O4S — CID 126211529

IUPAC2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-10-13(19)4-9-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyPMSUFKBDEQVGSA-GFCCVEGCSA-N
MW431.34 g/mol
LogP4.09
Rot. Bonds8

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

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 126211529) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
PubChem CID126211529
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-10-13(19)4-9-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyPMSUFKBDEQVGSA-GFCCVEGCSA-N
XLogP4.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide (CID 126211529) is 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is PMSUFKBDEQVGSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-3-12(2)22-27(24,25)15-7-5-14(6-8-15)26-11-18(23)21-17-10-13(19)4-9-16(17)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 4.09, 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-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 126211529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).