N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide

C21H23ClN2O3S2 — CID 10321556

IUPACN-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2
InChIInChI=1S/C21H23ClN2O3S2/c22-14-4-1-3-13(9-14)20(27)19-16-6-8-28-12-17(16)29-21(19)23-18(26)11-24-7-2-5-15(25)10-24/h1,3-4,9,15,25H,2,5-8,10-12H2,(H,23,26)
InChIKeyHCLGXXXGHWXWEI-UHFFFAOYSA-N
MW451.01 g/mol
LogP3.82
Rot. Bonds5

About N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide

N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 10321556) has the molecular formula C21H23ClN2O3S2 and a molecular weight of 451.01 g/mol. Its IUPAC name is N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID10321556
Molecular FormulaC21H23ClN2O3S2
Molecular Weight451.01 g/mol
Exact Mass450.08
IUPAC NameN-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2
InChIInChI=1S/C21H23ClN2O3S2/c22-14-4-1-3-13(9-14)20(27)19-16-6-8-28-12-17(16)29-21(19)23-18(26)11-24-7-2-5-15(25)10-24/h1,3-4,9,15,25H,2,5-8,10-12H2,(H,23,26)
InChIKeyHCLGXXXGHWXWEI-UHFFFAOYSA-N
XLogP3.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10478088
N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 10479605
N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
CID 21037074
N-[3-[(2E,4Z,6E)-6-chloro-1-hydroxy-2-methylocta-2,4,6-trienyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 142885448
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877774
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide (CID 10321556) is N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide is O=C(CN1CCCC(O)C1)Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCSC2.
What is the InChIKey of N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is HCLGXXXGHWXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S2/c22-14-4-1-3-13(9-14)20(27)19-16-6-8-28-12-17(16)29-21(19)23-18(26)11-24-7-2-5-15(25)10-24/h1,3-4,9,15,25H,2,5-8,10-12H2,(H,23,26).
What are the key properties of N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide?
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 451.01 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 10321556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).