2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide

C23H20N2OS2 — CID 38769783

IUPAC2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C23H20N2OS2/c24-17-18-9-4-6-13-21(18)28-22-14-7-5-12-20(22)23(26)25-15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-16H2,(H,25,26)
InChIKeyTUPVYAIADXMWPE-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.62
Rot. Bonds8

About 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 38769783) has the molecular formula C23H20N2OS2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID38769783
Molecular FormulaC23H20N2OS2
Molecular Weight404.56 g/mol
Exact Mass404.10
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C23H20N2OS2/c24-17-18-9-4-6-13-21(18)28-22-14-7-5-12-20(22)23(26)25-15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-16H2,(H,25,26)
InChIKeyTUPVYAIADXMWPE-UHFFFAOYSA-N
XLogP5.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
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N-[4-(4-chloroanilino)-4-oxobutyl]-2-(2-cyanophenyl)sulfanylbenzamide
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2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
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CID 55742348
2-(2-cyanophenyl)sulfanyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 2195049
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide (CID 38769783) is 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1ccccc1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is TUPVYAIADXMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS2/c24-17-18-9-4-6-13-21(18)28-22-14-7-5-12-20(22)23(26)25-15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-16H2,(H,25,26).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide has a molecular weight of 404.56 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 38769783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).