N-(2-phenylsulfanylphenyl)but-3-enamide

C16H15NOS — CID 162717598

IUPACN-(2-phenylsulfanylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H15NOS/c1-2-8-16(18)17-14-11-6-7-12-15(14)19-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2,(H,17,18)
InChIKeyJSPNLTSIBLHOML-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.35
Rot. Bonds5

About N-(2-phenylsulfanylphenyl)but-3-enamide

N-(2-phenylsulfanylphenyl)but-3-enamide (PubChem CID 162717598) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)but-3-enamide
PubChem CID162717598
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-(2-phenylsulfanylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H15NOS/c1-2-8-16(18)17-14-11-6-7-12-15(14)19-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2,(H,17,18)
InChIKeyJSPNLTSIBLHOML-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 2359401
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)but-3-enamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)but-3-enamide (CID 162717598) is N-(2-phenylsulfanylphenyl)but-3-enamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)but-3-enamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)but-3-enamide is C=CCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)but-3-enamide?
The InChIKey is JSPNLTSIBLHOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-8-16(18)17-14-11-6-7-12-15(14)19-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2,(H,17,18).
What are the key properties of N-(2-phenylsulfanylphenyl)but-3-enamide?
N-(2-phenylsulfanylphenyl)but-3-enamide has a molecular weight of 269.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)but-3-enamide is sourced from PubChem (CID 162717598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).