2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide

C23H24N2O2S — CID 16599413

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C23H24N2O2S/c1-2-27-20-11-7-6-10-19(20)24-23(26)22(17-8-4-3-5-9-17)25-14-12-21-18(16-25)13-15-28-21/h3-11,13,15,22H,2,12,14,16H2,1H3,(H,24,26)
InChIKeyVCBPGZKITUSGEA-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.88
Rot. Bonds6

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 16599413) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID16599413
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C23H24N2O2S/c1-2-27-20-11-7-6-10-19(20)24-23(26)22(17-8-4-3-5-9-17)25-14-12-21-18(16-25)13-15-28-21/h3-11,13,15,22H,2,12,14,16H2,1H3,(H,24,26)
InChIKeyVCBPGZKITUSGEA-UHFFFAOYSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 18137919
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 17490845
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 16599413) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is VCBPGZKITUSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-27-20-11-7-6-10-19(20)24-23(26)22(17-8-4-3-5-9-17)25-14-12-21-18(16-25)13-15-28-21/h3-11,13,15,22H,2,12,14,16H2,1H3,(H,24,26).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 392.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 16599413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).