(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C22H27ClN2O3S — CID 143905074

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC(OC(=O)Cc1ccccc1Cl)C(=O)N1CCCC1.c1cc2c(s1)CCNC2
InChIInChI=1S/C15H18ClNO3.C7H9NS/c1-11(15(19)17-8-4-5-9-17)20-14(18)10-12-6-2-3-7-13(12)16;1-3-8-5-6-2-4-9-7(1)6/h2-3,6-7,11H,4-5,8-10H2,1H3;2,4,8H,1,3,5H2
InChIKeyHRHRYSZDQXYTJZ-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.83
Rot. Bonds4

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 143905074) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID143905074
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC(OC(=O)Cc1ccccc1Cl)C(=O)N1CCCC1.c1cc2c(s1)CCNC2
InChIInChI=1S/C15H18ClNO3.C7H9NS/c1-11(15(19)17-8-4-5-9-17)20-14(18)10-12-6-2-3-7-13(12)16;1-3-8-5-6-2-4-9-7(1)6/h2-3,6-7,11H,4-5,8-10H2,1H3;2,4,8H,1,3,5H2
InChIKeyHRHRYSZDQXYTJZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylphenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 144676247
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
CID 55526251
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 55525249
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 93275939
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2109624
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 75449233
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylethanone
CID 13274794
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 26008544
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 143905074) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC(OC(=O)Cc1ccccc1Cl)C(=O)N1CCCC1.c1cc2c(s1)CCNC2.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is HRHRYSZDQXYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3.C7H9NS/c1-11(15(19)17-8-4-5-9-17)20-14(18)10-12-6-2-3-7-13(12)16;1-3-8-5-6-2-4-9-7(1)6/h2-3,6-7,11H,4-5,8-10H2,1H3;2,4,8H,1,3,5H2.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 434.99 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(2-chlorophenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 143905074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).