2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide

C15H17N3O2S — CID 43301707

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-11(13)8-18-15(19)10-21-12-6-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3,(H2,16,17)(H,18,19)
InChIKeyUNALNEIAMKZAPF-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.08
Rot. Bonds6

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 43301707) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID43301707
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-11(13)8-18-15(19)10-21-12-6-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3,(H2,16,17)(H,18,19)
InChIKeyUNALNEIAMKZAPF-UHFFFAOYSA-N
XLogP2.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
2-(5-amino-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 107337362
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 134001544
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
N-[(2-methoxyphenyl)methyl]-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813184
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7205977
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 43301707) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSc1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is UNALNEIAMKZAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-13-5-3-2-4-11(13)8-18-15(19)10-21-12-6-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43301707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).