3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide

C22H21NO2S — CID 10522748

IUPAC3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
SMILESO=C(CC(Sc1ccccc1)c1ccccc1)NOCc1ccccc1
InChIInChI=1S/C22H21NO2S/c24-22(23-25-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)
InChIKeyPVEKKOONAINGKZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.16
Rot. Bonds8

About 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide

3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide (PubChem CID 10522748) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
PubChem CID10522748
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
SMILESO=C(CC(Sc1ccccc1)c1ccccc1)NOCc1ccccc1
InChIInChI=1S/C22H21NO2S/c24-22(23-25-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)
InChIKeyPVEKKOONAINGKZ-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxy-2-phenylsulfanylacetamide
CID 47095881
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151
3-methyl-N-phenylmethoxypentanamide
CID 114875336
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
CID 88853307
[2-hydroxy-4-oxo-4-(phenylmethoxyamino)butyl] acetate
CID 14082372
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
3-(4-chlorophenyl)-3-phenylsulfanylpropanoyl chloride
CID 10064016
4-amino-N-phenylmethoxypentanamide
CID 64974762
4-(4-hydroxyphenyl)sulfanyl-4-phenylbutan-2-one
CID 139679363

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide?
The IUPAC name of 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide (CID 10522748) is 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide.
What is the SMILES notation for 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide?
The canonical SMILES for 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide is O=C(CC(Sc1ccccc1)c1ccccc1)NOCc1ccccc1.
What is the InChIKey of 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide?
The InChIKey is PVEKKOONAINGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-22(23-25-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24).
What are the key properties of 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide?
3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide is sourced from PubChem (CID 10522748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).