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

C22H25ClN2O3S2 — CID 10479605

IUPACN-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCSC2
InChIInChI=1S/C22H25ClN2O3S2/c23-16-5-3-15(4-6-16)21(28)20-17-7-9-29-13-18(17)30-22(20)24-19(27)11-25-8-1-2-14(10-25)12-26/h3-6,14,26H,1-2,7-13H2,(H,24,27)
InChIKeyWIULHTYWPGCOED-UHFFFAOYSA-N
MW465.04 g/mol
LogP4.06
Rot. Bonds6

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

N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 10479605) has the molecular formula C22H25ClN2O3S2 and a molecular weight of 465.04 g/mol. Its IUPAC name is N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID10479605
Molecular FormulaC22H25ClN2O3S2
Molecular Weight465.04 g/mol
Exact Mass464.10
IUPAC NameN-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCSC2
InChIInChI=1S/C22H25ClN2O3S2/c23-16-5-3-15(4-6-16)21(28)20-17-7-9-29-13-18(17)30-22(20)24-19(27)11-25-8-1-2-14(10-25)12-26/h3-6,14,26H,1-2,7-13H2,(H,24,27)
InChIKeyWIULHTYWPGCOED-UHFFFAOYSA-N
XLogP4.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 54.06
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]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10321556
N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10478088
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 166199717
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 10479605) is N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(CO)C1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCSC2.
What is the InChIKey of N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is WIULHTYWPGCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S2/c23-16-5-3-15(4-6-16)21(28)20-17-7-9-29-13-18(17)30-22(20)24-19(27)11-25-8-1-2-14(10-25)12-26/h3-6,14,26H,1-2,7-13H2,(H,24,27).
What are the key properties of N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 465.04 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10479605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).