(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone

C22H25NOS — CID 11610001

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone
SMILESCC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H25NOS/c1-21(2)20(22(21,3)4)19(24)17-13-23(11-9-15-10-12-25-14-15)18-8-6-5-7-16(17)18/h5-8,10,12-14,20H,9,11H2,1-4H3
InChIKeyKWTXZVBKQWNQBB-UHFFFAOYSA-N
MW351.52 g/mol
LogP5.81
Rot. Bonds5

About (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone

(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone (PubChem CID 11610001) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone
PubChem CID11610001
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone
SMILESCC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H25NOS/c1-21(2)20(22(21,3)4)19(24)17-13-23(11-9-15-10-12-25-14-15)18-8-6-5-7-16(17)18/h5-8,10,12-14,20H,9,11H2,1-4H3
InChIKeyKWTXZVBKQWNQBB-UHFFFAOYSA-N
XLogP5.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone (CID 11610001) is (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone is CC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone?
The InChIKey is KWTXZVBKQWNQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c1-21(2)20(22(21,3)4)19(24)17-13-23(11-9-15-10-12-25-14-15)18-8-6-5-7-16(17)18/h5-8,10,12-14,20H,9,11H2,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone?
(2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone has a molecular weight of 351.52 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[1-(2-thiophen-3-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 11610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).