2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

C21H27Cl2N3O3S — CID 4849161

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H27Cl2N3O3S/c1-5-26(6-2)30(28,29)18-10-7-15(3)20(12-18)24-21(27)14-25(4)13-16-8-9-17(22)11-19(16)23/h7-12H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyAHYDRPKVUFVFHH-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.40
Rot. Bonds9

About 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 4849161) has the molecular formula C21H27Cl2N3O3S and a molecular weight of 472.44 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID4849161
Molecular FormulaC21H27Cl2N3O3S
Molecular Weight472.44 g/mol
Exact Mass471.12
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H27Cl2N3O3S/c1-5-26(6-2)30(28,29)18-10-7-15(3)20(12-18)24-21(27)14-25(4)13-16-8-9-17(22)11-19(16)23/h7-12H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyAHYDRPKVUFVFHH-UHFFFAOYSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 4818902
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100791984
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100790560
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126063511

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (CID 4849161) is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is AHYDRPKVUFVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N3O3S/c1-5-26(6-2)30(28,29)18-10-7-15(3)20(12-18)24-21(27)14-25(4)13-16-8-9-17(22)11-19(16)23/h7-12H,5-6,13-14H2,1-4H3,(H,24,27).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 472.44 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 4849161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).