N-(5-pyridin-4-ylsulfanylpentyl)decanamide

C20H34N2OS — CID 15295254

IUPACN-(5-pyridin-4-ylsulfanylpentyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCCCSc1ccncc1
InChIInChI=1S/C20H34N2OS/c1-2-3-4-5-6-7-9-12-20(23)22-15-10-8-11-18-24-19-13-16-21-17-14-19/h13-14,16-17H,2-12,15,18H2,1H3,(H,22,23)
InChIKeyPPYGHHOZGRWTTM-UHFFFAOYSA-N
MW350.57 g/mol
LogP5.60
Rot. Bonds15

About N-(5-pyridin-4-ylsulfanylpentyl)decanamide

N-(5-pyridin-4-ylsulfanylpentyl)decanamide (PubChem CID 15295254) has the molecular formula C20H34N2OS and a molecular weight of 350.57 g/mol. Its IUPAC name is N-(5-pyridin-4-ylsulfanylpentyl)decanamide.

Molecular Properties

Compound NameN-(5-pyridin-4-ylsulfanylpentyl)decanamide
PubChem CID15295254
Molecular FormulaC20H34N2OS
Molecular Weight350.57 g/mol
Exact Mass350.24
IUPAC NameN-(5-pyridin-4-ylsulfanylpentyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCCCSc1ccncc1
InChIInChI=1S/C20H34N2OS/c1-2-3-4-5-6-7-9-12-20(23)22-15-10-8-11-18-24-19-13-16-21-17-14-19/h13-14,16-17H,2-12,15,18H2,1H3,(H,22,23)
InChIKeyPPYGHHOZGRWTTM-UHFFFAOYSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-4-ylsulfanylpropyl)decanamide
CID 15295248
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129
4-octadecylsulfanylpyridine
CID 177449547
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-ylsulfanylpentyl)decanamide?
The IUPAC name of N-(5-pyridin-4-ylsulfanylpentyl)decanamide (CID 15295254) is N-(5-pyridin-4-ylsulfanylpentyl)decanamide.
What is the SMILES notation for N-(5-pyridin-4-ylsulfanylpentyl)decanamide?
The canonical SMILES for N-(5-pyridin-4-ylsulfanylpentyl)decanamide is CCCCCCCCCC(=O)NCCCCCSc1ccncc1.
What is the InChIKey of N-(5-pyridin-4-ylsulfanylpentyl)decanamide?
The InChIKey is PPYGHHOZGRWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2OS/c1-2-3-4-5-6-7-9-12-20(23)22-15-10-8-11-18-24-19-13-16-21-17-14-19/h13-14,16-17H,2-12,15,18H2,1H3,(H,22,23).
What are the key properties of N-(5-pyridin-4-ylsulfanylpentyl)decanamide?
N-(5-pyridin-4-ylsulfanylpentyl)decanamide has a molecular weight of 350.57 g/mol, XLogP of 5.60, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-ylsulfanylpentyl)decanamide is sourced from PubChem (CID 15295254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).