(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide

C23H21NOS2 — CID 53349014

IUPAC(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/Sc1ccccc1)SCc1ccccc1
InChIInChI=1S/C23H21NOS2/c25-23(24-16-19-10-4-1-5-11-19)22(18-26-21-14-8-3-9-15-21)27-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25)/b22-18-
InChIKeyKWXCLFIGOZQHPJ-PYCFMQQDSA-N
MW391.56 g/mol
LogP5.87
Rot. Bonds8

About (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide

(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide (PubChem CID 53349014) has the molecular formula C23H21NOS2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide
PubChem CID53349014
Molecular FormulaC23H21NOS2
Molecular Weight391.56 g/mol
Exact Mass391.11
IUPAC Name(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/Sc1ccccc1)SCc1ccccc1
InChIInChI=1S/C23H21NOS2/c25-23(24-16-19-10-4-1-5-11-19)22(18-26-21-14-8-3-9-15-21)27-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25)/b22-18-
InChIKeyKWXCLFIGOZQHPJ-PYCFMQQDSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.87
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

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N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
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2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
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(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
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(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
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N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide (CID 53349014) is (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide is O=C(NCc1ccccc1)/C(=C/Sc1ccccc1)SCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide?
The InChIKey is KWXCLFIGOZQHPJ-PYCFMQQDSA-N. The full InChI is InChI=1S/C23H21NOS2/c25-23(24-16-19-10-4-1-5-11-19)22(18-26-21-14-8-3-9-15-21)27-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,24,25)/b22-18-.
What are the key properties of (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide?
(Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide has a molecular weight of 391.56 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-benzylsulfanyl-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 53349014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).