N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide

C18H19N3O2S — CID 1480879

IUPACN-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H19N3O2S/c1-13(22)20-17-9-8-14(12-19-17)24-16-7-3-2-6-15(16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,20,22)
InChIKeyZPUOYRBYIMNSQU-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.43
Rot. Bonds4

About N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide

N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide (PubChem CID 1480879) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide
PubChem CID1480879
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H19N3O2S/c1-13(22)20-17-9-8-14(12-19-17)24-16-7-3-2-6-15(16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,20,22)
InChIKeyZPUOYRBYIMNSQU-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide (CID 1480879) is N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Sc2ccccc2C(=O)N2CCCC2)cn1.
What is the InChIKey of N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide?
The InChIKey is ZPUOYRBYIMNSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(22)20-17-9-8-14(12-19-17)24-16-7-3-2-6-15(16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide?
N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-2-pyridinyl]acetamide is sourced from PubChem (CID 1480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).