N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C24H28N4O4S2 — CID 121254001

IUPACN-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCc3ccsc3)n2)C(C)(C)C1
InChIInChI=1S/C24H28N4O4S2/c1-17-14-24(2,3)28(15-17)22-19(6-5-11-25-22)23(29)27-34(30,31)21-8-4-7-20(26-21)32-12-9-18-10-13-33-16-18/h4-8,10-11,13,16-17H,9,12,14-15H2,1-3H3,(H,27,29)
InChIKeyILEGZCUQTPMFQA-UHFFFAOYSA-N
MW500.65 g/mol
LogP3.90
Rot. Bonds8

About N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121254001) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121254001
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC NameN-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCc3ccsc3)n2)C(C)(C)C1
InChIInChI=1S/C24H28N4O4S2/c1-17-14-24(2,3)28(15-17)22-19(6-5-11-25-22)23(29)27-34(30,31)21-8-4-7-20(26-21)32-12-9-18-10-13-33-16-18/h4-8,10-11,13,16-17H,9,12,14-15H2,1-3H3,(H,27,29)
InChIKeyILEGZCUQTPMFQA-UHFFFAOYSA-N
XLogP3.90
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121254001) is N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCc3ccsc3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ILEGZCUQTPMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-17-14-24(2,3)28(15-17)22-19(6-5-11-25-22)23(29)27-34(30,31)21-8-4-7-20(26-21)32-12-9-18-10-13-33-16-18/h4-8,10-11,13,16-17H,9,12,14-15H2,1-3H3,(H,27,29).
What are the key properties of N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121254001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).