N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C26H27N3O2S — CID 86933661

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)NCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C26H27N3O2S/c30-25(18-29-22-9-5-4-8-20(22)10-11-26(29)31)27-16-23(19-6-2-1-3-7-19)28-14-12-24-21(17-28)13-15-32-24/h1-9,13,15,23H,10-12,14,16-18H2,(H,27,30)
InChIKeyHAMJFYLTQYRHJJ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 86933661) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID86933661
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)NCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C26H27N3O2S/c30-25(18-29-22-9-5-4-8-20(22)10-11-26(29)31)27-16-23(19-6-2-1-3-7-19)28-14-12-24-21(17-28)13-15-32-24/h1-9,13,15,23H,10-12,14,16-18H2,(H,27,30)
InChIKeyHAMJFYLTQYRHJJ-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide with MolForge

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Related Compounds

2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 111115296
N-[2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112826543
N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 51948863
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide
CID 120703810
3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
CID 51950048
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2,3-dimethylguanidine
CID 47092705
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703809
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125925
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride
CID 119857438
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853286
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 86933661) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is O=C(CN1C(=O)CCc2ccccc21)NCC(c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is HAMJFYLTQYRHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c30-25(18-29-22-9-5-4-8-20(22)10-11-26(29)31)27-16-23(19-6-2-1-3-7-19)28-14-12-24-21(17-28)13-15-32-24/h1-9,13,15,23H,10-12,14,16-18H2,(H,27,30).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 445.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 86933661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).