2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide

C19H22N2O3S2 — CID 142757049

IUPAC2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide
SMILESCS(=O)(=O)c1c(CC(=O)Nc2ccccn2)cccc1SC1CCCC1
InChIInChI=1S/C19H22N2O3S2/c1-26(23,24)19-14(13-18(22)21-17-11-4-5-12-20-17)7-6-10-16(19)25-15-8-2-3-9-15/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,20,21,22)
InChIKeyKUMZKHHGWAKFDG-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide

2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide (PubChem CID 142757049) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide
PubChem CID142757049
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide
SMILESCS(=O)(=O)c1c(CC(=O)Nc2ccccn2)cccc1SC1CCCC1
InChIInChI=1S/C19H22N2O3S2/c1-26(23,24)19-14(13-18(22)21-17-11-4-5-12-20-17)7-6-10-16(19)25-15-8-2-3-9-15/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,20,21,22)
InChIKeyKUMZKHHGWAKFDG-UHFFFAOYSA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide (CID 142757049) is 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide is CS(=O)(=O)c1c(CC(=O)Nc2ccccn2)cccc1SC1CCCC1.
What is the InChIKey of 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide?
The InChIKey is KUMZKHHGWAKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-26(23,24)19-14(13-18(22)21-17-11-4-5-12-20-17)7-6-10-16(19)25-15-8-2-3-9-15/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,20,21,22).
What are the key properties of 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide?
2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide has a molecular weight of 390.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylsulfanyl-2-methylsulfonylphenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 142757049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).