2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide

C15H17N3OS — CID 43301325

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2ccc(N)cn2)c1
InChIInChI=1S/C15H17N3OS/c1-2-11-4-3-5-13(8-11)18-14(19)10-20-15-7-6-12(16)9-17-15/h3-9H,2,10,16H2,1H3,(H,18,19)
InChIKeyYGNNPVKRRINEAE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.96
Rot. Bonds5

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide (PubChem CID 43301325) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
PubChem CID43301325
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2ccc(N)cn2)c1
InChIInChI=1S/C15H17N3OS/c1-2-11-4-3-5-13(8-11)18-14(19)10-20-15-7-6-12(16)9-17-15/h3-9H,2,10,16H2,1H3,(H,18,19)
InChIKeyYGNNPVKRRINEAE-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 43300974
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 43301080
6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304933
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 95093231
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 5184525
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide (CID 43301325) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CSc2ccc(N)cn2)c1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide?
The InChIKey is YGNNPVKRRINEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-11-4-3-5-13(8-11)18-14(19)10-20-15-7-6-12(16)9-17-15/h3-9H,2,10,16H2,1H3,(H,18,19).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 43301325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).