(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide

C21H17NOS2 — CID 67544076

IUPAC(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C\Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H17NOS2/c23-21(22-17-10-4-1-5-11-17)20(25-19-14-8-3-9-15-19)16-24-18-12-6-2-7-13-18/h1-16H,(H,22,23)/b20-16+
InChIKeyQUVLAGBJJPOZAI-CAPFRKAQSA-N
MW363.51 g/mol
LogP6.05
Rot. Bonds6

About (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide

(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide (PubChem CID 67544076) has the molecular formula C21H17NOS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide
PubChem CID67544076
Molecular FormulaC21H17NOS2
Molecular Weight363.51 g/mol
Exact Mass363.08
IUPAC Name(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C\Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H17NOS2/c23-21(22-17-10-4-1-5-11-17)20(25-19-14-8-3-9-15-19)16-24-18-12-6-2-7-13-18/h1-16H,(H,22,23)/b20-16+
InChIKeyQUVLAGBJJPOZAI-CAPFRKAQSA-N
XLogP6.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 56.05
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide?
The IUPAC name of (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide (CID 67544076) is (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide.
What is the SMILES notation for (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide?
The canonical SMILES for (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide is O=C(Nc1ccccc1)/C(=C\Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide?
The InChIKey is QUVLAGBJJPOZAI-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H17NOS2/c23-21(22-17-10-4-1-5-11-17)20(25-19-14-8-3-9-15-19)16-24-18-12-6-2-7-13-18/h1-16H,(H,22,23)/b20-16+.
What are the key properties of (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide?
(E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide has a molecular weight of 363.51 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenyl-2,3-bis(phenylsulfanyl)prop-2-enamide is sourced from PubChem (CID 67544076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).