3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

C23H23NO2S — CID 1306561

IUPAC3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-18-7-13-22(14-8-18)27-16-15-23(25)24-20-9-11-21(12-10-20)26-17-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,24,25)
InChIKeySDUOZONORFSTMG-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.69
Rot. Bonds8

About 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 1306561) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID1306561
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-18-7-13-22(14-8-18)27-16-15-23(25)24-20-9-11-21(12-10-20)26-17-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,24,25)
InChIKeySDUOZONORFSTMG-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (CID 1306561) is 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide is Cc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is SDUOZONORFSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-18-7-13-22(14-8-18)27-16-15-23(25)24-20-9-11-21(12-10-20)26-17-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,24,25).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 1306561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).