2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide

C18H21NO3S — CID 27828609

IUPAC2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-21-15-8-10-16(11-9-15)22-14-18(20)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,19,20)
InChIKeyBMAOGEIBKDKHBF-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.37
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide

2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 27828609) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID27828609
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-21-15-8-10-16(11-9-15)22-14-18(20)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,19,20)
InChIKeyBMAOGEIBKDKHBF-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.37
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

2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 26352192
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
CID 27828642
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methoxyphenyl)propanoate
CID 7628890
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide (CID 27828609) is 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide is COc1ccc(OCC(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is BMAOGEIBKDKHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-15-8-10-16(11-9-15)22-14-18(20)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide?
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 27828609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).