(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one

C21H17NOS — CID 126715493

IUPAC(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17NOS/c23-20(15-7-2-1-3-8-15)13-17(21-11-6-12-24-21)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2/t17-/m1/s1
InChIKeyRMNWFEDARMGMKG-QGZVFWFLSA-N
MW331.44 g/mol
LogP5.63
Rot. Bonds5

About (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one

(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one (PubChem CID 126715493) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one
PubChem CID126715493
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17NOS/c23-20(15-7-2-1-3-8-15)13-17(21-11-6-12-24-21)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2/t17-/m1/s1
InChIKeyRMNWFEDARMGMKG-QGZVFWFLSA-N
XLogP5.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one (CID 126715493) is (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one is O=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one?
The InChIKey is RMNWFEDARMGMKG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17NOS/c23-20(15-7-2-1-3-8-15)13-17(21-11-6-12-24-21)18-14-22-19-10-5-4-9-16(18)19/h1-12,14,17,22H,13H2/t17-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one?
(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one has a molecular weight of 331.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 126715493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).