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

C23H31ClN2O3S2 — CID 142885448

IUPACN-[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
SMILESC/C=C(Cl)\C=C/C=C(\C)C(O)c1c(NC(=O)CN2CCCC(O)C2)sc2c1CCSC2
InChIInChI=1S/C23H31ClN2O3S2/c1-3-16(24)7-4-6-15(2)22(29)21-18-9-11-30-14-19(18)31-23(21)25-20(28)13-26-10-5-8-17(27)12-26/h3-4,6-7,17,22,27,29H,5,8-14H2,1-2H3,(H,25,28)/b7-4-,15-6+,16-3+
InChIKeyWLIJTZKKHZNOMS-UJIXIGRLSA-N
MW483.10 g/mol
LogP4.61
Rot. Bonds7

About 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

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 (PubChem CID 142885448) has the molecular formula C23H31ClN2O3S2 and a molecular weight of 483.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID142885448
Molecular FormulaC23H31ClN2O3S2
Molecular Weight483.10 g/mol
Exact Mass482.15
IUPAC NameN-[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
SMILESC/C=C(Cl)\C=C/C=C(\C)C(O)c1c(NC(=O)CN2CCCC(O)C2)sc2c1CCSC2
InChIInChI=1S/C23H31ClN2O3S2/c1-3-16(24)7-4-6-15(2)22(29)21-18-9-11-30-14-19(18)31-23(21)25-20(28)13-26-10-5-8-17(27)12-26/h3-4,6-7,17,22,27,29H,5,8-14H2,1-2H3,(H,25,28)/b7-4-,15-6+,16-3+
InChIKeyWLIJTZKKHZNOMS-UJIXIGRLSA-N
XLogP4.61
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.10
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloroprop-1-ene;2-(3-hydroxypiperidin-1-yl)acetaldehyde;(E)-2-methyl-1-[2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl]pent-2-en-1-ol
CID 142885440
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-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 10479605
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-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 51114865
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
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-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 110882819

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(Cl)\C=C/C=C(\C)C(O)c1c(NC(=O)CN2CCCC(O)C2)sc2c1CCSC2.
What is the InChIKey of 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?
The InChIKey is WLIJTZKKHZNOMS-UJIXIGRLSA-N. The full InChI is InChI=1S/C23H31ClN2O3S2/c1-3-16(24)7-4-6-15(2)22(29)21-18-9-11-30-14-19(18)31-23(21)25-20(28)13-26-10-5-8-17(27)12-26/h3-4,6-7,17,22,27,29H,5,8-14H2,1-2H3,(H,25,28)/b7-4-,15-6+,16-3+.
What are the key properties of 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?
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 has a molecular weight of 483.10 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142885448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).