3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide

C16H17F2N3O4S — CID 135376381

IUPAC3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(F)F
InChIInChI=1S/C16H17F2N3O4S/c1-3-8-9(20-15(23)16(8,17)18)5-25-10-6-26-11-4-7(13(19)22)14(24-2)21-12(10)11/h4,6,8-9H,3,5H2,1-2H3,(H2,19,22)(H,20,23)/t8-,9+/m0/s1
InChIKeySGUQRVCNSLWDBQ-DTWKUNHWSA-N
MW385.39 g/mol
LogP1.94
Rot. Bonds6

About 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide

3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (PubChem CID 135376381) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
PubChem CID135376381
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide
SMILESCC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(F)F
InChIInChI=1S/C16H17F2N3O4S/c1-3-8-9(20-15(23)16(8,17)18)5-25-10-6-26-11-4-7(13(19)22)14(24-2)21-12(10)11/h4,6,8-9H,3,5H2,1-2H3,(H2,19,22)(H,20,23)/t8-,9+/m0/s1
InChIKeySGUQRVCNSLWDBQ-DTWKUNHWSA-N
XLogP1.94
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide 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 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide (CID 135376381) is 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(F)F.
What is the InChIKey of 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is SGUQRVCNSLWDBQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-3-8-9(20-15(23)16(8,17)18)5-25-10-6-26-11-4-7(13(19)22)14(24-2)21-12(10)11/h4,6,8-9H,3,5H2,1-2H3,(H2,19,22)(H,20,23)/t8-,9+/m0/s1.
What are the key properties of 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide?
3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-3-ethyl-4,4-difluoro-5-oxopyrrolidin-2-yl]methoxy]-5-methoxythieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 135376381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).