4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide

C24H23Cl2N3O4S — CID 69184260

IUPAC4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(C(N)=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-28-24(31)17-8-6-15(7-9-17)21(23(27)30)16-10-12-19(13-11-16)29(34(2,32)33)14-18-4-3-5-20(25)22(18)26/h3-13,21H,14H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyMGCJIEHMPDJLHP-UHFFFAOYSA-N
MW520.44 g/mol
LogP3.94
Rot. Bonds8

About 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide

4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide (PubChem CID 69184260) has the molecular formula C24H23Cl2N3O4S and a molecular weight of 520.44 g/mol. Its IUPAC name is 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
PubChem CID69184260
Molecular FormulaC24H23Cl2N3O4S
Molecular Weight520.44 g/mol
Exact Mass519.08
IUPAC Name4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(C(N)=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-28-24(31)17-8-6-15(7-9-17)21(23(27)30)16-10-12-19(13-11-16)29(34(2,32)33)14-18-4-3-5-20(25)22(18)26/h3-13,21H,14H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyMGCJIEHMPDJLHP-UHFFFAOYSA-N
XLogP3.94
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
tert-butyl N-[[4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]phenyl]methyl]carbamate
CID 69181387
N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 69208048
N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 16660952
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
N-[(2R)-butan-2-yl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1312128
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 16662027
N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69192060
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
CID 28589773

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide (CID 69184260) is 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide is CNC(=O)c1ccc(C(C(N)=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is MGCJIEHMPDJLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4S/c1-28-24(31)17-8-6-15(7-9-17)21(23(27)30)16-10-12-19(13-11-16)29(34(2,32)33)14-18-4-3-5-20(25)22(18)26/h3-13,21H,14H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide?
4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 520.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 69184260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).