2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide

C20H19N3O3S2 — CID 22776132

IUPAC2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESNc1ccc(SC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S2/c21-15-6-10-17(11-7-15)27-19(14-4-2-1-3-5-14)20(24)23-16-8-12-18(13-9-16)28(22,25)26/h1-13,19H,21H2,(H,23,24)(H2,22,25,26)
InChIKeyVGZDSLGVJWVEGD-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide

2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 22776132) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID22776132
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESNc1ccc(SC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S2/c21-15-6-10-17(11-7-15)27-19(14-4-2-1-3-5-14)20(24)23-16-8-12-18(13-9-16)28(22,25)26/h1-13,19H,21H2,(H,23,24)(H2,22,25,26)
InChIKeyVGZDSLGVJWVEGD-UHFFFAOYSA-N
XLogP3.39
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide (CID 22776132) is 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide is Nc1ccc(SC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VGZDSLGVJWVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c21-15-6-10-17(11-7-15)27-19(14-4-2-1-3-5-14)20(24)23-16-8-12-18(13-9-16)28(22,25)26/h1-13,19H,21H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 22776132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).