2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide

C22H21FN2O3S2 — CID 28565285

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S2/c1-16-4-2-3-5-21(16)25-30(27,28)20-12-10-19(11-13-20)24-22(26)15-29-14-17-6-8-18(23)9-7-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyPMVTZLDRNWRMOV-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.81
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 28565285) has the molecular formula C22H21FN2O3S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID28565285
Molecular FormulaC22H21FN2O3S2
Molecular Weight444.55 g/mol
Exact Mass444.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S2/c1-16-4-2-3-5-21(16)25-30(27,28)20-12-10-19(11-13-20)24-22(26)15-29-14-17-6-8-18(23)9-7-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyPMVTZLDRNWRMOV-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 92677412
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
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N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
2-[(2-methylphenyl)methylsulfanyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 1278407
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
CID 22306554
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide (CID 28565285) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PMVTZLDRNWRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S2/c1-16-4-2-3-5-21(16)25-30(27,28)20-12-10-19(11-13-20)24-22(26)15-29-14-17-6-8-18(23)9-7-17/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 444.55 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 28565285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).