3-phenyl-N-(2-phenylsulfanylethyl)propanamide

C17H19NOS — CID 2205200

IUPAC3-phenyl-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(12-11-15-7-3-1-4-8-15)18-13-14-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyXOINLYVNKKAXTQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.53
Rot. Bonds7

About 3-phenyl-N-(2-phenylsulfanylethyl)propanamide

3-phenyl-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 2205200) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylsulfanylethyl)propanamide
PubChem CID2205200
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-phenyl-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(12-11-15-7-3-1-4-8-15)18-13-14-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyXOINLYVNKKAXTQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-phenyl-N-(2-phenylsulfanylethyl)propanamide (CID 2205200) is 3-phenyl-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-phenyl-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-phenyl-N-(2-phenylsulfanylethyl)propanamide is O=C(CCc1ccccc1)NCCSc1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is XOINLYVNKKAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(12-11-15-7-3-1-4-8-15)18-13-14-20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of 3-phenyl-N-(2-phenylsulfanylethyl)propanamide?
3-phenyl-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 285.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 2205200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).