N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide

C22H21NO2S — CID 2280513

IUPACN-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c24-22(15-16-26-21-9-5-2-6-10-21)23-19-11-13-20(14-12-19)25-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,23,24)
InChIKeyVGMLOUVXACZRMA-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.39
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide

N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide (PubChem CID 2280513) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide
PubChem CID2280513
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c24-22(15-16-26-21-9-5-2-6-10-21)23-19-11-13-20(14-12-19)25-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,23,24)
InChIKeyVGMLOUVXACZRMA-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide (CID 2280513) is N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is VGMLOUVXACZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-22(15-16-26-21-9-5-2-6-10-21)23-19-11-13-20(14-12-19)25-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,23,24).
What are the key properties of N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide?
N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2280513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).