N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide

C20H24N2O2S — CID 46434537

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H24N2O2S/c1-15(25-18-11-3-2-4-12-18)19(23)22-14-16-8-7-13-21-20(16)24-17-9-5-6-10-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyPRINMYJNLGRSTC-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.20
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide (PubChem CID 46434537) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
PubChem CID46434537
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H24N2O2S/c1-15(25-18-11-3-2-4-12-18)19(23)22-14-16-8-7-13-21-20(16)24-17-9-5-6-10-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyPRINMYJNLGRSTC-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide (CID 46434537) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide?
The InChIKey is PRINMYJNLGRSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15(25-18-11-3-2-4-12-18)19(23)22-14-16-8-7-13-21-20(16)24-17-9-5-6-10-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 46434537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).