N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide

C20H17FN4O3S — CID 2901378

IUPACN-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C=Cc3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN4O3S/c1-14(26)23-16-8-10-18(11-9-16)29(27,28)25-20-22-13-12-17(24-20)7-6-15-4-2-3-5-19(15)21/h2-13H,1H3,(H,23,26)(H,22,24,25)
InChIKeyDFHLVTUJDQUUTG-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2901378) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID2901378
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C=Cc3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN4O3S/c1-14(26)23-16-8-10-18(11-9-16)29(27,28)25-20-22-13-12-17(24-20)7-6-15-4-2-3-5-19(15)21/h2-13H,1H3,(H,23,26)(H,22,24,25)
InChIKeyDFHLVTUJDQUUTG-UHFFFAOYSA-N
XLogP3.55
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
CID 92913526
N-[4-[(4-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25048024
N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
CID 71950843
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
4-(benzylamino)-N-[4-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5107795
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
(E)-3-(2,3-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 55334572
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]acetamide
CID 121014999

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide (CID 2901378) is N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C=Cc3ccccc3F)n2)cc1.
What is the InChIKey of N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is DFHLVTUJDQUUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-14(26)23-16-8-10-18(11-9-16)29(27,28)25-20-22-13-12-17(24-20)7-6-15-4-2-3-5-19(15)21/h2-13H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2901378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).