4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine

C27H28N2O4S — CID 6240356

IUPAC4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2/C(=C/COc3ccccc3)C(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-11-13-23(14-12-21)34(30,31)29-25-10-6-5-9-24(25)27(28-16-19-32-20-17-28)26(29)15-18-33-22-7-3-2-4-8-22/h2-15,27H,16-20H2,1H3/b26-15+
InChIKeyMDAWQNGWSXQYHY-CVKSISIWSA-N
MW476.60 g/mol
LogP4.54
Rot. Bonds6

About 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine

4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine (PubChem CID 6240356) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine
PubChem CID6240356
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2/C(=C/COc3ccccc3)C(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-11-13-23(14-12-21)34(30,31)29-25-10-6-5-9-24(25)27(28-16-19-32-20-17-28)26(29)15-18-33-22-7-3-2-4-8-22/h2-15,27H,16-20H2,1H3/b26-15+
InChIKeyMDAWQNGWSXQYHY-CVKSISIWSA-N
XLogP4.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine?
The IUPAC name of 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine (CID 6240356) is 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine.
What is the SMILES notation for 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine?
The canonical SMILES for 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine is Cc1ccc(S(=O)(=O)N2/C(=C/COc3ccccc3)C(N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine?
The InChIKey is MDAWQNGWSXQYHY-CVKSISIWSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-21-11-13-23(14-12-21)34(30,31)29-25-10-6-5-9-24(25)27(28-16-19-32-20-17-28)26(29)15-18-33-22-7-3-2-4-8-22/h2-15,27H,16-20H2,1H3/b26-15+.
What are the key properties of 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine?
4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine has a molecular weight of 476.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-1-(4-methylphenyl)sulfonyl-2-(2-phenoxyethylidene)-3H-indol-3-yl]morpholine is sourced from PubChem (CID 6240356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).