N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide

C15H16N2OS — CID 100724139

IUPACN-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccncc1)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c18-15(17-14-4-2-1-3-5-14)12-19-11-8-13-6-9-16-10-7-13/h1-7,9-10H,8,11-12H2,(H,17,18)
InChIKeyHJVCJYDAFTWMCA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.00
Rot. Bonds6

About N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide

N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide (PubChem CID 100724139) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
PubChem CID100724139
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccncc1)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c18-15(17-14-4-2-1-3-5-14)12-19-11-8-13-6-9-16-10-7-13/h1-7,9-10H,8,11-12H2,(H,17,18)
InChIKeyHJVCJYDAFTWMCA-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 3703386
N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
CID 25342928
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
3-[[2-(2-phenylethylsulfanyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528841
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
2-phenacylsulfanyl-N-phenylacetamide
CID 569693

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The IUPAC name of N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide (CID 100724139) is N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The canonical SMILES for N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide is O=C(CSCCc1ccncc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The InChIKey is HJVCJYDAFTWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-14-4-2-1-3-5-14)12-19-11-8-13-6-9-16-10-7-13/h1-7,9-10H,8,11-12H2,(H,17,18).
What are the key properties of N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide is sourced from PubChem (CID 100724139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).