2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide

C17H17N3O2S — CID 122140434

IUPAC2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)Sc2cc(C#N)ccn2)c1
InChIInChI=1S/C17H17N3O2S/c1-12(23-16-9-13(10-18)6-7-19-16)17(21)20-11-14-4-3-5-15(8-14)22-2/h3-9,12H,11H2,1-2H3,(H,20,21)
InChIKeyWOKPMBZSBLQFBZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.76
Rot. Bonds6

About 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide

2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 122140434) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID122140434
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)Sc2cc(C#N)ccn2)c1
InChIInChI=1S/C17H17N3O2S/c1-12(23-16-9-13(10-18)6-7-19-16)17(21)20-11-14-4-3-5-15(8-14)22-2/h3-9,12H,11H2,1-2H3,(H,20,21)
InChIKeyWOKPMBZSBLQFBZ-UHFFFAOYSA-N
XLogP2.76
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
CID 86997502
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918511
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-methoxyphenyl)methyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78840907
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 122140434) is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)Sc2cc(C#N)ccn2)c1.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is WOKPMBZSBLQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(23-16-9-13(10-18)6-7-19-16)17(21)20-11-14-4-3-5-15(8-14)22-2/h3-9,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide?
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 122140434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).