2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide

C18H21NO2S — CID 78687555

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)12-19-18(20)13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyABUHAKZBZWPZND-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.71
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide (PubChem CID 78687555) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
PubChem CID78687555
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)12-19-18(20)13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyABUHAKZBZWPZND-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550911
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
3-methoxy-4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]butanoic acid
CID 103153245
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 119527201
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide (CID 78687555) is 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide is COc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The InChIKey is ABUHAKZBZWPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(15-6-4-3-5-7-15)12-19-18(20)13-22-17-10-8-16(21-2)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 78687555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).