2-ethylsulfanyl-N-pyridin-3-ylbenzamide

C14H14N2OS — CID 971364

IUPAC2-ethylsulfanyl-N-pyridin-3-ylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C14H14N2OS/c1-2-18-13-8-4-3-7-12(13)14(17)16-11-6-5-9-15-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyQJWGKXGWIXOWDY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.45
Rot. Bonds4

About 2-ethylsulfanyl-N-pyridin-3-ylbenzamide

2-ethylsulfanyl-N-pyridin-3-ylbenzamide (PubChem CID 971364) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-pyridin-3-ylbenzamide
PubChem CID971364
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-ethylsulfanyl-N-pyridin-3-ylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C14H14N2OS/c1-2-18-13-8-4-3-7-12(13)14(17)16-11-6-5-9-15-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyQJWGKXGWIXOWDY-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-ethylsulfanyl-N-pyridin-3-ylbenzamide (CID 971364) is 2-ethylsulfanyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-ethylsulfanyl-N-pyridin-3-ylbenzamide is CCSc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-ethylsulfanyl-N-pyridin-3-ylbenzamide?
The InChIKey is QJWGKXGWIXOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-18-13-8-4-3-7-12(13)14(17)16-11-6-5-9-15-10-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 2-ethylsulfanyl-N-pyridin-3-ylbenzamide?
2-ethylsulfanyl-N-pyridin-3-ylbenzamide has a molecular weight of 258.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 971364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).