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

C22H20N2O4S2 — CID 2905660

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-16(25)24-30(27,28)20-14-12-18(13-15-20)23-22(26)21(17-8-4-2-5-9-17)29-19-10-6-3-7-11-19/h2-15,21H,1H3,(H,23,26)(H,24,25)
InChIKeyALPRTWDWEWNFAV-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.98
Rot. Bonds7

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

N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2905660) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2905660
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-16(25)24-30(27,28)20-14-12-18(13-15-20)23-22(26)21(17-8-4-2-5-9-17)29-19-10-6-3-7-11-19/h2-15,21H,1H3,(H,23,26)(H,24,25)
InChIKeyALPRTWDWEWNFAV-UHFFFAOYSA-N
XLogP3.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 2905660) is N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is ALPRTWDWEWNFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-16(25)24-30(27,28)20-14-12-18(13-15-20)23-22(26)21(17-8-4-2-5-9-17)29-19-10-6-3-7-11-19/h2-15,21H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 440.55 g/mol, XLogP of 3.98, 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-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2905660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).