3-(2-phenylphenoxy)propanethioamide

C15H15NOS — CID 7745595

IUPAC3-(2-phenylphenoxy)propanethioamide
SMILESNC(=S)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H15NOS/c16-15(18)10-11-17-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,18)
InChIKeyUHQMJKNCTAVRLW-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.41
Rot. Bonds5

About 3-(2-phenylphenoxy)propanethioamide

3-(2-phenylphenoxy)propanethioamide (PubChem CID 7745595) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)propanethioamide.

Molecular Properties

Compound Name3-(2-phenylphenoxy)propanethioamide
PubChem CID7745595
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-(2-phenylphenoxy)propanethioamide
SMILESNC(=S)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H15NOS/c16-15(18)10-11-17-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,18)
InChIKeyUHQMJKNCTAVRLW-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(2-phenylphenoxy)butanimidamide
CID 24695153
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzenecarbothioamide
CID 22681369
1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene
CID 141352185
N-(2-amino-2-oxo-1-phenylethyl)-3-(2-phenylphenoxy)propanamide
CID 55623305
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-amino-4-(2-phenylphenoxy)butan-2-ol
CID 64812948
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179
1-octadecoxy-2-phenylbenzene
CID 70983974

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)propanethioamide?
The IUPAC name of 3-(2-phenylphenoxy)propanethioamide (CID 7745595) is 3-(2-phenylphenoxy)propanethioamide.
What is the SMILES notation for 3-(2-phenylphenoxy)propanethioamide?
The canonical SMILES for 3-(2-phenylphenoxy)propanethioamide is NC(=S)CCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylphenoxy)propanethioamide?
The InChIKey is UHQMJKNCTAVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c16-15(18)10-11-17-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,18).
What are the key properties of 3-(2-phenylphenoxy)propanethioamide?
3-(2-phenylphenoxy)propanethioamide has a molecular weight of 257.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)propanethioamide is sourced from PubChem (CID 7745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).