N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide

C23H22F2N2O3S — CID 20931904

IUPACN-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-16(28)26-21-10-12-23(13-11-21)31(29,30)27-22(14-17-2-6-19(24)7-3-17)15-18-4-8-20(25)9-5-18/h2-13,22,27H,14-15H2,1H3,(H,26,28)
InChIKeySVCHOCKMYHNXDR-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.06
Rot. Bonds8

About N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide

N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide (PubChem CID 20931904) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
PubChem CID20931904
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC NameN-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-16(28)26-21-10-12-23(13-11-21)31(29,30)27-22(14-17-2-6-19(24)7-3-17)15-18-4-8-20(25)9-5-18/h2-13,22,27H,14-15H2,1H3,(H,26,28)
InChIKeySVCHOCKMYHNXDR-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide
CID 114297256
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide (CID 20931904) is N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide?
The InChIKey is SVCHOCKMYHNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c1-16(28)26-21-10-12-23(13-11-21)31(29,30)27-22(14-17-2-6-19(24)7-3-17)15-18-4-8-20(25)9-5-18/h2-13,22,27H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide?
N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 20931904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).