2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

C17H17N3O3S — CID 53365772

IUPAC2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ncccc2C#N)c1OC
InChIInChI=1S/C17H17N3O3S/c1-22-14-7-3-5-13(16(14)23-2)10-20-15(21)11-24-17-12(9-18)6-4-8-19-17/h3-8H,10-11H2,1-2H3,(H,20,21)
InChIKeyUGYRRQDWFWTGBD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.38
Rot. Bonds7

About 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (PubChem CID 53365772) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
PubChem CID53365772
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ncccc2C#N)c1OC
InChIInChI=1S/C17H17N3O3S/c1-22-14-7-3-5-13(16(14)23-2)10-20-15(21)11-24-17-12(9-18)6-4-8-19-17/h3-8H,10-11H2,1-2H3,(H,20,21)
InChIKeyUGYRRQDWFWTGBD-UHFFFAOYSA-N
XLogP2.38
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 53365769
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
N-[(2,3-dimethoxyphenyl)methyl]-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 71802627
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 17344823
N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanylacetamide
CID 46507320
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 17186421
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 134032020

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (CID 53365772) is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ncccc2C#N)c1OC.
What is the InChIKey of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The InChIKey is UGYRRQDWFWTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-14-7-3-5-13(16(14)23-2)10-20-15(21)11-24-17-12(9-18)6-4-8-19-17/h3-8H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53365772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).