1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole

C32H45NO2S2 — CID 135138730

IUPAC1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole
SMILESCC(C)(c1cccs1)C(C)(c1ccco1)C(C)(n1cccc1)C(C)(C1CCCS1)C(C)(C)C1CCCO1
InChIInChI=1S/C32H45NO2S2/c1-28(2,24-14-10-20-34-24)31(6,27-17-13-23-37-27)32(7,33-18-8-9-19-33)30(5,25-15-11-21-35-25)29(3,4)26-16-12-22-36-26/h8-9,11-12,15-16,18-19,21-22,24,27H,10,13-14,17,20,23H2,1-7H3
InChIKeyAUFWEKHKSHMSPQ-UHFFFAOYSA-N
MW539.85 g/mol
LogP8.90
Rot. Bonds9

About 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole

1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole (PubChem CID 135138730) has the molecular formula C32H45NO2S2 and a molecular weight of 539.85 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole
PubChem CID135138730
Molecular FormulaC32H45NO2S2
Molecular Weight539.85 g/mol
Exact Mass539.29
IUPAC Name1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole
SMILESCC(C)(c1cccs1)C(C)(c1ccco1)C(C)(n1cccc1)C(C)(C1CCCS1)C(C)(C)C1CCCO1
InChIInChI=1S/C32H45NO2S2/c1-28(2,24-14-10-20-34-24)31(6,27-17-13-23-37-27)32(7,33-18-8-9-19-33)30(5,25-15-11-21-35-25)29(3,4)26-16-12-22-36-26/h8-9,11-12,15-16,18-19,21-22,24,27H,10,13-14,17,20,23H2,1-7H3
InChIKeyAUFWEKHKSHMSPQ-UHFFFAOYSA-N
XLogP8.90
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole?
The IUPAC name of 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole (CID 135138730) is 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole.
What is the SMILES notation for 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole?
The canonical SMILES for 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole is CC(C)(c1cccs1)C(C)(c1ccco1)C(C)(n1cccc1)C(C)(C1CCCS1)C(C)(C)C1CCCO1.
What is the InChIKey of 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole?
The InChIKey is AUFWEKHKSHMSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45NO2S2/c1-28(2,24-14-10-20-34-24)31(6,27-17-13-23-37-27)32(7,33-18-8-9-19-33)30(5,25-15-11-21-35-25)29(3,4)26-16-12-22-36-26/h8-9,11-12,15-16,18-19,21-22,24,27H,10,13-14,17,20,23H2,1-7H3.
What are the key properties of 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole?
1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole has a molecular weight of 539.85 g/mol, XLogP of 8.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole is sourced from PubChem (CID 135138730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).