N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

C23H28N2O3S2 — CID 55800689

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C23H28N2O3S2/c26-21(16-27-19-9-7-18(8-10-19)23-29-12-3-13-30-23)24-14-17-6-11-22(25-15-17)28-20-4-1-2-5-20/h6-11,15,20,23H,1-5,12-14,16H2,(H,24,26)
InChIKeyQYOXLQQTBFZONW-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.97
Rot. Bonds8

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 55800689) has the molecular formula C23H28N2O3S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID55800689
Molecular FormulaC23H28N2O3S2
Molecular Weight444.62 g/mol
Exact Mass444.15
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C23H28N2O3S2/c26-21(16-27-19-9-7-18(8-10-19)23-29-12-3-13-30-23)24-14-17-6-11-22(25-15-17)28-20-4-1-2-5-20/h6-11,15,20,23H,1-5,12-14,16H2,(H,24,26)
InChIKeyQYOXLQQTBFZONW-UHFFFAOYSA-N
XLogP4.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899
N-[3-[[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55893531
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460626
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 55800689) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(OC2CCCC2)nc1.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is QYOXLQQTBFZONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S2/c26-21(16-27-19-9-7-18(8-10-19)23-29-12-3-13-30-23)24-14-17-6-11-22(25-15-17)28-20-4-1-2-5-20/h6-11,15,20,23H,1-5,12-14,16H2,(H,24,26).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 444.62 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 55800689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).