N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine

C24H21NO2S — CID 13347267

IUPACN-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine
SMILESCc1ccc(S(=O)c2cc(-c3ccccc3)c(N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C24H21NO2S/c1-18-13-15-21(16-14-18)28(26)23-17-22(19-9-5-3-6-10-19)24(27-23)25(2)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyIAIGJUZJKMFJAO-UHFFFAOYSA-N
MW387.50 g/mol
LogP6.19
Rot. Bonds5

About N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine

N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine (PubChem CID 13347267) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine
PubChem CID13347267
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine
SMILESCc1ccc(S(=O)c2cc(-c3ccccc3)c(N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C24H21NO2S/c1-18-13-15-21(16-14-18)28(26)23-17-22(19-9-5-3-6-10-19)24(27-23)25(2)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyIAIGJUZJKMFJAO-UHFFFAOYSA-N
XLogP6.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine?
The IUPAC name of N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine (CID 13347267) is N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine.
What is the SMILES notation for N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine?
The canonical SMILES for N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine is Cc1ccc(S(=O)c2cc(-c3ccccc3)c(N(C)c3ccccc3)o2)cc1.
What is the InChIKey of N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine?
The InChIKey is IAIGJUZJKMFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-18-13-15-21(16-14-18)28(26)23-17-22(19-9-5-3-6-10-19)24(27-23)25(2)20-11-7-4-8-12-20/h3-17H,1-2H3.
What are the key properties of N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine?
N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine has a molecular weight of 387.50 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylphenyl)sulfinyl-N,3-diphenylfuran-2-amine is sourced from PubChem (CID 13347267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).