N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

C21H19FN2O3S2 — CID 22779275

IUPACN-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S2/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-10-19(11-9-18)28-14-21(25)23-17-6-4-16(22)5-7-17/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyRCLHCYQIRHIWED-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.67
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 22779275) has the molecular formula C21H19FN2O3S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID22779275
Molecular FormulaC21H19FN2O3S2
Molecular Weight430.53 g/mol
Exact Mass430.08
IUPAC NameN-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S2/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-10-19(11-9-18)28-14-21(25)23-17-6-4-16(22)5-7-17/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyRCLHCYQIRHIWED-UHFFFAOYSA-N
XLogP4.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 22779275) is N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is RCLHCYQIRHIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S2/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-10-19(11-9-18)28-14-21(25)23-17-6-4-16(22)5-7-17/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 430.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 22779275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).