N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide

C24H26N2O3S2 — CID 2928544

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-24(2,3)26-31(28,29)21-16-14-19(15-17-21)25-23(27)22(18-10-6-4-7-11-18)30-20-12-8-5-9-13-20/h4-17,22,26H,1-3H3,(H,25,27)
InChIKeyTUCHTVNTVVERBZ-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.24
Rot. Bonds7

About N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2928544) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2928544
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-24(2,3)26-31(28,29)21-16-14-19(15-17-21)25-23(27)22(18-10-6-4-7-11-18)30-20-12-8-5-9-13-20/h4-17,22,26H,1-3H3,(H,25,27)
InChIKeyTUCHTVNTVVERBZ-UHFFFAOYSA-N
XLogP5.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 2928544) is N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is TUCHTVNTVVERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-24(2,3)26-31(28,29)21-16-14-19(15-17-21)25-23(27)22(18-10-6-4-7-11-18)30-20-12-8-5-9-13-20/h4-17,22,26H,1-3H3,(H,25,27).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 454.62 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2928544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).