N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide

C20H24N2O3S — CID 71880862

IUPACN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(O)c(C(=O)NCCC(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-13(2)14-3-4-17(23)16(11-14)20(25)21-8-5-19(24)22-9-6-18-15(12-22)7-10-26-18/h3-4,7,10-11,13,23H,5-6,8-9,12H2,1-2H3,(H,21,25)
InChIKeyZIMVPBBQYAUZND-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.28
Rot. Bonds5

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide (PubChem CID 71880862) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide
PubChem CID71880862
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(O)c(C(=O)NCCC(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-13(2)14-3-4-17(23)16(11-14)20(25)21-8-5-19(24)22-9-6-18-15(12-22)7-10-26-18/h3-4,7,10-11,13,23H,5-6,8-9,12H2,1-2H3,(H,21,25)
InChIKeyZIMVPBBQYAUZND-UHFFFAOYSA-N
XLogP3.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide?
The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide (CID 71880862) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide is CC(C)c1ccc(O)c(C(=O)NCCC(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide?
The InChIKey is ZIMVPBBQYAUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13(2)14-3-4-17(23)16(11-14)20(25)21-8-5-19(24)22-9-6-18-15(12-22)7-10-26-18/h3-4,7,10-11,13,23H,5-6,8-9,12H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide?
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 71880862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).