N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C20H25ClFN3O4S — CID 24674869

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C20H25ClFN3O4S/c1-25(2)18(19-16(21)5-4-6-17(19)22)13-23-20(26)14-7-9-15(10-8-14)30(27,28)24-11-12-29-3/h4-10,18,24H,11-13H2,1-3H3,(H,23,26)
InChIKeyUBOMILDLCNKUDV-UHFFFAOYSA-N
MW457.96 g/mol
LogP2.44
Rot. Bonds10

About N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24674869) has the molecular formula C20H25ClFN3O4S and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24674869
Molecular FormulaC20H25ClFN3O4S
Molecular Weight457.96 g/mol
Exact Mass457.12
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C20H25ClFN3O4S/c1-25(2)18(19-16(21)5-4-6-17(19)22)13-23-20(26)14-7-9-15(10-8-14)30(27,28)24-11-12-29-3/h4-10,18,24H,11-13H2,1-3H3,(H,23,26)
InChIKeyUBOMILDLCNKUDV-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 25478911
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342508
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24673398
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 51530814
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55968741
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 24674869) is N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCC(c2c(F)cccc2Cl)N(C)C)cc1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is UBOMILDLCNKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O4S/c1-25(2)18(19-16(21)5-4-6-17(19)22)13-23-20(26)14-7-9-15(10-8-14)30(27,28)24-11-12-29-3/h4-10,18,24H,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 457.96 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24674869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).