N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide

C18H20Cl2N2O3S — CID 8503225

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-7-14(26(24,25)22(3)4)10-16(11)18(23)21-12(2)15-8-6-13(19)9-17(15)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m1/s1
InChIKeyXMOSQVIUALUIFD-GFCCVEGCSA-N
MW415.34 g/mol
LogP4.04
Rot. Bonds5

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide (PubChem CID 8503225) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
PubChem CID8503225
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-7-14(26(24,25)22(3)4)10-16(11)18(23)21-12(2)15-8-6-13(19)9-17(15)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m1/s1
InChIKeyXMOSQVIUALUIFD-GFCCVEGCSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41198961
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide (CID 8503225) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The InChIKey is XMOSQVIUALUIFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11-5-7-14(26(24,25)22(3)4)10-16(11)18(23)21-12(2)15-8-6-13(19)9-17(15)20/h5-10,12H,1-4H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide has a molecular weight of 415.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 8503225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).