N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

C18H22FN3O3S — CID 53283595

IUPACN-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C18H22FN3O3S/c1-13-9-10-15(11-14(13)2)20-18(23)12-22(26(24,25)21(3)4)17-8-6-5-7-16(17)19/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyNKBNLSYHHNAFTQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.69
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (PubChem CID 53283595) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
PubChem CID53283595
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C18H22FN3O3S/c1-13-9-10-15(11-14(13)2)20-18(23)12-22(26(24,25)21(3)4)17-8-6-5-7-16(17)19/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyNKBNLSYHHNAFTQ-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
CID 92677264
ethyl 3-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
CID 46762996
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46770541
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 99951086
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
CID 30391962
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 46771539

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (CID 53283595) is N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The InChIKey is NKBNLSYHHNAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-13-9-10-15(11-14(13)2)20-18(23)12-22(26(24,25)21(3)4)17-8-6-5-7-16(17)19/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is sourced from PubChem (CID 53283595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).