N-(4-pyridin-2-ylsulfanylbutyl)benzamide

C16H18N2OS — CID 67642549

IUPACN-(4-pyridin-2-ylsulfanylbutyl)benzamide
SMILESO=C(NCCCCSc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2OS/c19-16(14-8-2-1-3-9-14)18-12-6-7-13-20-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,18,19)
InChIKeyFVVCDRBCUCDKRO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.38
Rot. Bonds7

About N-(4-pyridin-2-ylsulfanylbutyl)benzamide

N-(4-pyridin-2-ylsulfanylbutyl)benzamide (PubChem CID 67642549) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-pyridin-2-ylsulfanylbutyl)benzamide.

Molecular Properties

Compound NameN-(4-pyridin-2-ylsulfanylbutyl)benzamide
PubChem CID67642549
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-pyridin-2-ylsulfanylbutyl)benzamide
SMILESO=C(NCCCCSc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2OS/c19-16(14-8-2-1-3-9-14)18-12-6-7-13-20-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,18,19)
InChIKeyFVVCDRBCUCDKRO-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.38
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

4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 19079171
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
1-methyl-3-(3-pyridin-2-ylsulfanylpropyl)thiourea;hydrochloride
CID 21432758
2,2-dimethyl-5-pyridin-2-ylsulfanylpentanoic acid
CID 65259922
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-[(E)-benzylideneamino]-4-pyridin-2-ylsulfanylbutanamide
CID 134125900
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
CID 18965737

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-ylsulfanylbutyl)benzamide?
The IUPAC name of N-(4-pyridin-2-ylsulfanylbutyl)benzamide (CID 67642549) is N-(4-pyridin-2-ylsulfanylbutyl)benzamide.
What is the SMILES notation for N-(4-pyridin-2-ylsulfanylbutyl)benzamide?
The canonical SMILES for N-(4-pyridin-2-ylsulfanylbutyl)benzamide is O=C(NCCCCSc1ccccn1)c1ccccc1.
What is the InChIKey of N-(4-pyridin-2-ylsulfanylbutyl)benzamide?
The InChIKey is FVVCDRBCUCDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(14-8-2-1-3-9-14)18-12-6-7-13-20-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,18,19).
What are the key properties of N-(4-pyridin-2-ylsulfanylbutyl)benzamide?
N-(4-pyridin-2-ylsulfanylbutyl)benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-ylsulfanylbutyl)benzamide is sourced from PubChem (CID 67642549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).