N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

C22H20Cl2N2O4S — CID 4291684

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-3-2-4-18(11-15)26-31(28,29)20-9-7-19(8-10-20)30-14-22(27)25-13-16-5-6-17(23)12-21(16)24/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyOMTWDUXUTUAHJY-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.80
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 4291684) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID4291684
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-3-2-4-18(11-15)26-31(28,29)20-9-7-19(8-10-20)30-14-22(27)25-13-16-5-6-17(23)12-21(16)24/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyOMTWDUXUTUAHJY-UHFFFAOYSA-N
XLogP4.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126128096
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
N-[(2-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 3873700
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
N-(2-ethyl-6-methylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3900705
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4031208
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 2579895
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 4291684) is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is OMTWDUXUTUAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-15-3-2-4-18(11-15)26-31(28,29)20-9-7-19(8-10-20)30-14-22(27)25-13-16-5-6-17(23)12-21(16)24/h2-12,26H,13-14H2,1H3,(H,25,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 479.39 g/mol, XLogP of 4.80, 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-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4291684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).