N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

C17H17ClN2O2S2 — CID 55436153

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN2O2S2/c18-13-4-7-15(19-10-13)20-16(21)11-22-14-5-2-12(3-6-14)17-23-8-1-9-24-17/h2-7,10,17H,1,8-9,11H2,(H,19,20,21)
InChIKeyZWSNCILRGFTTQN-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.62
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 55436153) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID55436153
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN2O2S2/c18-13-4-7-15(19-10-13)20-16(21)11-22-14-5-2-12(3-6-14)17-23-8-1-9-24-17/h2-7,10,17H,1,8-9,11H2,(H,19,20,21)
InChIKeyZWSNCILRGFTTQN-UHFFFAOYSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 51600039
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-[4-(difluoromethoxy)phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7603238
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744134
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 51600054
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 55436153) is N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is ZWSNCILRGFTTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S2/c18-13-4-7-15(19-10-13)20-16(21)11-22-14-5-2-12(3-6-14)17-23-8-1-9-24-17/h2-7,10,17H,1,8-9,11H2,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 380.92 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 55436153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).