2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide

C17H19NO3S — CID 11536986

IUPAC2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
SMILESCCOc1ccc(-c2cccc(CS(=O)CC(N)=O)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-21-16-8-6-14(7-9-16)15-5-3-4-13(10-15)11-22(20)12-17(18)19/h3-10H,2,11-12H2,1H3,(H2,18,19)
InChIKeySDQYSYJIGIMDAN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.49
Rot. Bonds7

About 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide

2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 11536986) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
PubChem CID11536986
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
SMILESCCOc1ccc(-c2cccc(CS(=O)CC(N)=O)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-21-16-8-6-14(7-9-16)15-5-3-4-13(10-15)11-22(20)12-17(18)19/h3-10H,2,11-12H2,1H3,(H2,18,19)
InChIKeySDQYSYJIGIMDAN-UHFFFAOYSA-N
XLogP2.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
1-[[3-(3-ethoxy-4-methylphenyl)phenyl]methylsulfinyl]propan-2-one;propan-1-ol
CID 142167131
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
2-benzylsulfinylacetamide;ethane
CID 91390108
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
2-[3-[4-[3-(4-ethoxyphenyl)prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59219336

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide (CID 11536986) is 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide is CCOc1ccc(-c2cccc(CS(=O)CC(N)=O)c2)cc1.
What is the InChIKey of 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is SDQYSYJIGIMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-21-16-8-6-14(7-9-16)15-5-3-4-13(10-15)11-22(20)12-17(18)19/h3-10H,2,11-12H2,1H3,(H2,18,19).
What are the key properties of 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide?
2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11536986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).