N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide

C16H18N2O2S — CID 2646355

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-7-5-13(6-8-14)9-11-17-15(19)12-21-16-4-2-3-10-18-16/h2-8,10H,9,11-12H2,1H3,(H,17,19)
InChIKeyVTJITRJQJPVPBE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2646355) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2646355
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-7-5-13(6-8-14)9-11-17-15(19)12-21-16-4-2-3-10-18-16/h2-8,10H,9,11-12H2,1H3,(H,17,19)
InChIKeyVTJITRJQJPVPBE-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide (CID 2646355) is N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide is COc1ccc(CCNC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VTJITRJQJPVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-7-5-13(6-8-14)9-11-17-15(19)12-21-16-4-2-3-10-18-16/h2-8,10H,9,11-12H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2646355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).