2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide

C20H25ClFN3O3S — CID 112811360

IUPAC2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H25ClFN3O3S/c1-4-12-25(14-20(26)23-19-11-6-5-8-15(19)2)29(27,28)24(3)13-16-17(21)9-7-10-18(16)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyFICFYIOFEWRCNH-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.81
Rot. Bonds9

About 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 112811360) has the molecular formula C20H25ClFN3O3S and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID112811360
Molecular FormulaC20H25ClFN3O3S
Molecular Weight441.96 g/mol
Exact Mass441.13
IUPAC Name2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H25ClFN3O3S/c1-4-12-25(14-20(26)23-19-11-6-5-8-15(19)2)29(27,28)24(3)13-16-17(21)9-7-10-18(16)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyFICFYIOFEWRCNH-UHFFFAOYSA-N
XLogP3.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678173
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
2-[ethylsulfonyl(methyl)amino]-N-(2-fluorophenyl)acetamide
CID 99818124
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 112811360) is 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is FICFYIOFEWRCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O3S/c1-4-12-25(14-20(26)23-19-11-6-5-8-15(19)2)29(27,28)24(3)13-16-17(21)9-7-10-18(16)22/h5-11H,4,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 441.96 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 112811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).