N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide

C19H22Cl2N2O4S — CID 5001110

IUPACN-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-12(2)10-22-28(25,26)14-7-8-17(13(3)9-14)27-11-18(24)23-19-15(20)5-4-6-16(19)21/h4-9,12,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyBONOCQLXAXKOLV-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.25
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide

N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 5001110) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID5001110
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-12(2)10-22-28(25,26)14-7-8-17(13(3)9-14)27-11-18(24)23-19-15(20)5-4-6-16(19)21/h4-9,12,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyBONOCQLXAXKOLV-UHFFFAOYSA-N
XLogP4.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
CID 1254790
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
N-(furan-2-ylmethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243341
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 5001110) is N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is BONOCQLXAXKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-12(2)10-22-28(25,26)14-7-8-17(13(3)9-14)27-11-18(24)23-19-15(20)5-4-6-16(19)21/h4-9,12,22H,10-11H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 445.37 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 5001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).