2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide

C13H20FN3O3S — CID 30391962

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C
InChIInChI=1S/C13H20FN3O3S/c1-4-9-15-13(18)10-17(21(19,20)16(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyZHAUVACNFGCTLD-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.96
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide (PubChem CID 30391962) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
PubChem CID30391962
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C
InChIInChI=1S/C13H20FN3O3S/c1-4-9-15-13(18)10-17(21(19,20)16(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyZHAUVACNFGCTLD-UHFFFAOYSA-N
XLogP0.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-propylpropanamide
CID 132944504
2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132680867
2-[(4-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]-N-propylbutanamide
CID 132684098
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 92672912
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
N-butyl-2-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]-(2-phenylethyl)amino]butanamide
CID 132731230
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99131122
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 124832538

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide (CID 30391962) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide is CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide?
The InChIKey is ZHAUVACNFGCTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-4-9-15-13(18)10-17(21(19,20)16(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide has a molecular weight of 317.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide is sourced from PubChem (CID 30391962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).