N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

C17H18N2O2S — CID 111696498

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NC1c2ccccc2CC1O
InChIInChI=1S/C17H18N2O2S/c20-15-9-13-3-1-2-4-14(13)17(15)19-16(21)11-22-10-12-5-7-18-8-6-12/h1-8,15,17,20H,9-11H2,(H,19,21)
InChIKeyQFBRDOHNENOTKX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.09
Rot. Bonds5

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 111696498) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID111696498
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccncc1)NC1c2ccccc2CC1O
InChIInChI=1S/C17H18N2O2S/c20-15-9-13-3-1-2-4-14(13)17(15)19-16(21)11-22-10-12-5-7-18-8-6-12/h1-8,15,17,20H,9-11H2,(H,19,21)
InChIKeyQFBRDOHNENOTKX-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 111696498) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is O=C(CSCc1ccncc1)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is QFBRDOHNENOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-15-9-13-3-1-2-4-14(13)17(15)19-16(21)11-22-10-12-5-7-18-8-6-12/h1-8,15,17,20H,9-11H2,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 111696498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).