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

C17H17FN2O4S2 — CID 4786491

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S2/c1-12(21)20-26(23,24)16-8-6-15(7-9-16)19-17(22)11-25-10-13-2-4-14(18)5-3-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCWYRRVAGMVIFFR-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.52
Rot. Bonds7

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

N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 4786491) has the molecular formula C17H17FN2O4S2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID4786491
Molecular FormulaC17H17FN2O4S2
Molecular Weight396.47 g/mol
Exact Mass396.06
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S2/c1-12(21)20-26(23,24)16-8-6-15(7-9-16)19-17(22)11-25-10-13-2-4-14(18)5-3-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCWYRRVAGMVIFFR-UHFFFAOYSA-N
XLogP2.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 28565285
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 92677412
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
CID 84553115
N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
CID 25044330
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
CID 29136353
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 4786491) is N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is CWYRRVAGMVIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S2/c1-12(21)20-26(23,24)16-8-6-15(7-9-16)19-17(22)11-25-10-13-2-4-14(18)5-3-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 4786491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).