N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

C16H16N2O4S2 — CID 1321236

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4S2/c1-12(19)18-24(21,22)15-9-7-13(8-10-15)17-16(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyGOHXDTYRPQVDGQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 1321236) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID1321236
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4S2/c1-12(19)18-24(21,22)15-9-7-13(8-10-15)17-16(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyGOHXDTYRPQVDGQ-UHFFFAOYSA-N
XLogP2.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
CID 84553115
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 25037986
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (CID 1321236) is N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is GOHXDTYRPQVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-12(19)18-24(21,22)15-9-7-13(8-10-15)17-16(20)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.24, 6 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-phenylsulfanylacetamide is sourced from PubChem (CID 1321236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).