N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide

C17H20N2O2S — CID 111784465

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H20N2O2S/c20-12-14(10-15-6-4-5-9-18-15)11-19-17(21)13-22-16-7-2-1-3-8-16/h1-9,14,20H,10-13H2,(H,19,21)
InChIKeyOSEITEZDFSIYGG-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.14
Rot. Bonds8

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide (PubChem CID 111784465) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
PubChem CID111784465
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H20N2O2S/c20-12-14(10-15-6-4-5-9-18-15)11-19-17(21)13-22-16-7-2-1-3-8-16/h1-9,14,20H,10-13H2,(H,19,21)
InChIKeyOSEITEZDFSIYGG-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 97014692
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide (CID 111784465) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC(CO)Cc1ccccn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide?
The InChIKey is OSEITEZDFSIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-12-14(10-15-6-4-5-9-18-15)11-19-17(21)13-22-16-7-2-1-3-8-16/h1-9,14,20H,10-13H2,(H,19,21).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide has a molecular weight of 316.43 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 111784465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).