(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone

C26H21NO2S2 — CID 10836985

IUPAC(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone
SMILESCCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1sccc1-c1cccs1
InChIInChI=1S/C26H21NO2S2/c1-2-19-16-21-22(29-17-18-8-4-3-5-9-18)10-6-13-27(21)24(19)25(28)26-20(12-15-31-26)23-11-7-14-30-23/h3-16H,2,17H2,1H3
InChIKeyUCPCDJSQKGQSGB-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.10
Rot. Bonds7

About (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone

(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone (PubChem CID 10836985) has the molecular formula C26H21NO2S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone
PubChem CID10836985
Molecular FormulaC26H21NO2S2
Molecular Weight443.59 g/mol
Exact Mass443.10
IUPAC Name(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone
SMILESCCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1sccc1-c1cccs1
InChIInChI=1S/C26H21NO2S2/c1-2-19-16-21-22(29-17-18-8-4-3-5-9-18)10-6-13-27(21)24(19)25(28)26-20(12-15-31-26)23-11-7-14-30-23/h3-16H,2,17H2,1H3
InChIKeyUCPCDJSQKGQSGB-UHFFFAOYSA-N
XLogP7.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 154447443
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
CID 10624863
sodium 4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate
CID 23679676
ethyl 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetate
CID 18771266
2-methoxy-8-phenylmethoxyindolizine
CID 10562828
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
benzyl 3-phenylthiophene-2-carboxylate
CID 175107738
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
CID 10767818
diethyl 8-phenylmethoxy-2-sulfanylindolizine-1,3-dicarboxylate
CID 10739702

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone?
The IUPAC name of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone (CID 10836985) is (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone is CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1sccc1-c1cccs1.
What is the InChIKey of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone?
The InChIKey is UCPCDJSQKGQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2S2/c1-2-19-16-21-22(29-17-18-8-4-3-5-9-18)10-6-13-27(21)24(19)25(28)26-20(12-15-31-26)23-11-7-14-30-23/h3-16H,2,17H2,1H3.
What are the key properties of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone?
(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone has a molecular weight of 443.59 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 10836985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).