N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

C19H24ClN3O3S2 — CID 92664134

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(3)17-10-8-15(9-11-17)19(24)21-12-13-27-14-16-6-4-5-7-18(16)20/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyNLYOHCKNVMZVHQ-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.25
Rot. Bonds9

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 92664134) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID92664134
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(3)17-10-8-15(9-11-17)19(24)21-12-13-27-14-16-6-4-5-7-18(16)20/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyNLYOHCKNVMZVHQ-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891232
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126175134
N-(2-benzylsulfanylethyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 5025403
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
CID 126189821
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748298
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126034211
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 92664134) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is NLYOHCKNVMZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(3)17-10-8-15(9-11-17)19(24)21-12-13-27-14-16-6-4-5-7-18(16)20/h4-11H,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 442.01 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 92664134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).