4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine

C29H23NO2S — CID 134907235

IUPAC4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine
SMILES[2H]c1c(S(=O)c2ccc(C)cc2)oc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H23NO2S/c1-22-17-19-26(20-18-22)33(31)28-21-27(23-11-5-2-6-12-23)29(32-28)30(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3/i21D
InChIKeyFGFIOJHAJMXDSB-KRLANHAZSA-N
MW450.58 g/mol
LogP7.89
Rot. Bonds6

About 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine

4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine (PubChem CID 134907235) has the molecular formula C29H23NO2S and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine.

Molecular Properties

Compound Name4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine
PubChem CID134907235
Molecular FormulaC29H23NO2S
Molecular Weight450.58 g/mol
Exact Mass450.15
IUPAC Name4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine
SMILES[2H]c1c(S(=O)c2ccc(C)cc2)oc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H23NO2S/c1-22-17-19-26(20-18-22)33(31)28-21-27(23-11-5-2-6-12-23)29(32-28)30(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3/i21D
InChIKeyFGFIOJHAJMXDSB-KRLANHAZSA-N
XLogP7.89
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine?
The IUPAC name of 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine (CID 134907235) is 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine.
What is the SMILES notation for 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine?
The canonical SMILES for 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine is [2H]c1c(S(=O)c2ccc(C)cc2)oc(N(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine?
The InChIKey is FGFIOJHAJMXDSB-KRLANHAZSA-N. The full InChI is InChI=1S/C29H23NO2S/c1-22-17-19-26(20-18-22)33(31)28-21-27(23-11-5-2-6-12-23)29(32-28)30(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3/i21D.
What are the key properties of 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine?
4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine has a molecular weight of 450.58 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-5-(4-methylphenyl)sulfinyl-N,N,3-triphenylfuran-2-amine is sourced from PubChem (CID 134907235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).