2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide

C20H18N2O3S2 — CID 2905535

IUPAC2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S2/c21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(15-7-3-1-4-8-15)26-17-9-5-2-6-10-17/h1-14,19H,(H,22,23)(H2,21,24,25)
InChIKeyPOVDUWJRDHWKDU-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.81
Rot. Bonds6

About 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide

2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2905535) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID2905535
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S2/c21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(15-7-3-1-4-8-15)26-17-9-5-2-6-10-17/h1-14,19H,(H,22,23)(H2,21,24,25)
InChIKeyPOVDUWJRDHWKDU-UHFFFAOYSA-N
XLogP3.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 2905535) is 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is POVDUWJRDHWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(15-7-3-1-4-8-15)26-17-9-5-2-6-10-17/h1-14,19H,(H,22,23)(H2,21,24,25).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2905535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).