N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C18H20Cl2N2O4S — CID 126128096

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)22-27(24,25)16-7-5-15(6-8-16)26-11-18(23)21-10-13-3-4-14(19)9-17(13)20/h3-9,12,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyWLIFZNICFZMQHE-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.38
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 126128096) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID126128096
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)22-27(24,25)16-7-5-15(6-8-16)26-11-18(23)21-10-13-3-4-14(19)9-17(13)20/h3-9,12,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyWLIFZNICFZMQHE-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
N-[(2-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 3873700
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130149
2-(4-fluorophenoxy)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30126016

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 126128096) is N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is WLIFZNICFZMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-12(2)22-27(24,25)16-7-5-15(6-8-16)26-11-18(23)21-10-13-3-4-14(19)9-17(13)20/h3-9,12,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 431.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 126128096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).