N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide

C19H23Cl2N3O3S — CID 46573593

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-13(14-5-7-15(20)8-6-14)24(4)12-19(25)22-16-9-10-17(21)18(11-16)28(26,27)23(2)3/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyISCDQUDKKRVGTI-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.88
Rot. Bonds7

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide (PubChem CID 46573593) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
PubChem CID46573593
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-13(14-5-7-15(20)8-6-14)24(4)12-19(25)22-16-9-10-17(21)18(11-16)28(26,27)23(2)3/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyISCDQUDKKRVGTI-UHFFFAOYSA-N
XLogP3.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 40843057
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5243998
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide (CID 46573593) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide is CC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide?
The InChIKey is ISCDQUDKKRVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-13(14-5-7-15(20)8-6-14)24(4)12-19(25)22-16-9-10-17(21)18(11-16)28(26,27)23(2)3/h5-11,13H,12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide has a molecular weight of 444.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 46573593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).