N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide

C28H25NOS — CID 4145859

IUPACN,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H25NOS/c30-28(27(25-17-9-3-10-18-25)31-26-19-11-4-12-20-26)29(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKeyVJEXEYCBMJLJNN-UHFFFAOYSA-N
MW423.58 g/mol
LogP6.75
Rot. Bonds8

About N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide

N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 4145859) has the molecular formula C28H25NOS and a molecular weight of 423.58 g/mol. Its IUPAC name is N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID4145859
Molecular FormulaC28H25NOS
Molecular Weight423.58 g/mol
Exact Mass423.17
IUPAC NameN,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H25NOS/c30-28(27(25-17-9-3-10-18-25)31-26-19-11-4-12-20-26)29(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKeyVJEXEYCBMJLJNN-UHFFFAOYSA-N
XLogP6.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide (CID 4145859) is N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide is O=C(C(Sc1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is VJEXEYCBMJLJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NOS/c30-28(27(25-17-9-3-10-18-25)31-26-19-11-4-12-20-26)29(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2.
What are the key properties of N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide?
N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 423.58 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 4145859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).