N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide

C20H24Cl2N2O3S — CID 46588572

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H24Cl2N2O3S/c1-12-9-15(10-19(13(12)2)28(26,27)23(4)5)20(25)24(6)14(3)17-8-7-16(21)11-18(17)22/h7-11,14H,1-6H3
InChIKeyIGXNZXDTORGCEM-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.69
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide

N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide (PubChem CID 46588572) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
PubChem CID46588572
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C20H24Cl2N2O3S/c1-12-9-15(10-19(13(12)2)28(26,27)23(4)5)20(25)24(6)14(3)17-8-7-16(21)11-18(17)22/h7-11,14H,1-6H3
InChIKeyIGXNZXDTORGCEM-UHFFFAOYSA-N
XLogP4.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34136281
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide (CID 46588572) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide is Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
The InChIKey is IGXNZXDTORGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-12-9-15(10-19(13(12)2)28(26,27)23(4)5)20(25)24(6)14(3)17-8-7-16(21)11-18(17)22/h7-11,14H,1-6H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide has a molecular weight of 443.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide is sourced from PubChem (CID 46588572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).