5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione

C22H20N2O2S2 — CID 9325280

IUPAC5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C22H20N2O2S2/c1-2-14-5-6-17-16(12-14)21(25)22(26)24(17)13-23-9-7-18-15(8-11-28-18)20(23)19-4-3-10-27-19/h3-6,8,10-12,20H,2,7,9,13H2,1H3/t20-/m1/s1
InChIKeyYSZYECADUQGYAO-HXUWFJFHSA-N
MW408.55 g/mol
LogP4.51
Rot. Bonds4

About 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione

5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione (PubChem CID 9325280) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
PubChem CID9325280
Molecular FormulaC22H20N2O2S2
Molecular Weight408.55 g/mol
Exact Mass408.10
IUPAC Name5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C22H20N2O2S2/c1-2-14-5-6-17-16(12-14)21(25)22(26)24(17)13-23-9-7-18-15(8-11-28-18)20(23)19-4-3-10-27-19/h3-6,8,10-12,20H,2,7,9,13H2,1H3/t20-/m1/s1
InChIKeyYSZYECADUQGYAO-HXUWFJFHSA-N
XLogP4.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
CID 31429387
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
5-methyl-1-[[(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]indole-2,3-dione
CID 9325216
1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
CID 9325118
methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
CID 24534408
N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46444098
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568267
(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 95285356
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione (CID 9325280) is 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione is CCc1ccc2c(c1)C(=O)C(=O)N2CN1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
The InChIKey is YSZYECADUQGYAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c1-2-14-5-6-17-16(12-14)21(25)22(26)24(17)13-23-9-7-18-15(8-11-28-18)20(23)19-4-3-10-27-19/h3-6,8,10-12,20H,2,7,9,13H2,1H3/t20-/m1/s1.
What are the key properties of 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione?
5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione has a molecular weight of 408.55 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 9325280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).