2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C20H26FN3O4S — CID 132667273

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26FN3O4S/c1-15-9-11-17(12-10-15)28-14-16(2)22-20(25)13-24(29(26,27)23(3)4)19-8-6-5-7-18(19)21/h5-12,16H,13-14H2,1-4H3,(H,22,25)
InChIKeyDIGABTOXUHTISZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.33
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 132667273) has the molecular formula C20H26FN3O4S and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID132667273
Molecular FormulaC20H26FN3O4S
Molecular Weight423.51 g/mol
Exact Mass423.16
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26FN3O4S/c1-15-9-11-17(12-10-15)28-14-16(2)22-20(25)13-24(29(26,27)23(3)4)19-8-6-5-7-18(19)21/h5-12,16H,13-14H2,1-4H3,(H,22,25)
InChIKeyDIGABTOXUHTISZ-UHFFFAOYSA-N
XLogP2.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132663567
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 92663718
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896242
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895852
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43891983
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43893493
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 99951086

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 132667273) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is DIGABTOXUHTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4S/c1-15-9-11-17(12-10-15)28-14-16(2)22-20(25)13-24(29(26,27)23(3)4)19-8-6-5-7-18(19)21/h5-12,16H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 132667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).