2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide

C16H15NOS2 — CID 67544937

IUPAC2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide
SMILESCSC(=CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NOS2/c1-19-15(12-20-14-10-6-3-7-11-14)16(18)17-13-8-4-2-5-9-13/h2-12H,1H3,(H,17,18)
InChIKeyQAOIBMGULZLNIX-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.62
Rot. Bonds5

About 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide

2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide (PubChem CID 67544937) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide
PubChem CID67544937
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide
SMILESCSC(=CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NOS2/c1-19-15(12-20-14-10-6-3-7-11-14)16(18)17-13-8-4-2-5-9-13/h2-12H,1H3,(H,17,18)
InChIKeyQAOIBMGULZLNIX-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide
CID 67542872
(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide
CID 67544076
2-[bis(methylsulfanyl)methylidene]-3-oxo-N-phenylbutanamide
CID 15686673
N-(4-methylphenyl)-2-(4-phenylphenyl)-3-phenylsulfanylprop-2-enamide
CID 91184978
methyl (E)-2,3-bis(phenylsulfanyl)prop-2-enoate
CID 67544521
(E)-3-methoxy-2-methylsulfanyl-N-phenylbut-2-enamide
CID 21445131
(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
CID 15687754
(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide
CID 53349014
potassium 2-anilino-2-oxoacetate
CID 23690423
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
N,N',N'-triphenyloxamide
CID 54357836

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide?
The IUPAC name of 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide (CID 67544937) is 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide is CSC(=CSc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide?
The InChIKey is QAOIBMGULZLNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-19-15(12-20-14-10-6-3-7-11-14)16(18)17-13-8-4-2-5-9-13/h2-12H,1H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide?
2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide has a molecular weight of 301.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 67544937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).