2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide

C15H15NO4S — CID 11515025

IUPAC2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1Oc1ccc(O)cc1
InChIInChI=1S/C15H15NO4S/c16-15(18)10-21(19)9-11-3-1-2-4-14(11)20-13-7-5-12(17)6-8-13/h1-8,17H,9-10H2,(H2,16,18)
InChIKeyRWVMPYOHFNEZHZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.92
Rot. Bonds6

About 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide

2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide (PubChem CID 11515025) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide
PubChem CID11515025
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1Oc1ccc(O)cc1
InChIInChI=1S/C15H15NO4S/c16-15(18)10-21(19)9-11-3-1-2-4-14(11)20-13-7-5-12(17)6-8-13/h1-8,17H,9-10H2,(H2,16,18)
InChIKeyRWVMPYOHFNEZHZ-UHFFFAOYSA-N
XLogP1.92
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)phenyl]methylsulfinyl]acetamide
CID 11558850
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
CID 91127842
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
2-[(S)-(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 124567027
2-benzylsulfinylacetamide;ethane
CID 91390108
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfinyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 11626957
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
CID 129411313
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
CID 57464622
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide (CID 11515025) is 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1ccccc1Oc1ccc(O)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide?
The InChIKey is RWVMPYOHFNEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c16-15(18)10-21(19)9-11-3-1-2-4-14(11)20-13-7-5-12(17)6-8-13/h1-8,17H,9-10H2,(H2,16,18).
What are the key properties of 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide?
2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11515025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).