N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide

C21H19NO5S2 — CID 55764758

IUPACN-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C21H19NO5S2/c1-15(23)22-13-17-9-12-21(28-17)20(24)14-27-16-7-10-19(11-8-16)29(25,26)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyZTFRUYBJSKJSSN-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.48
Rot. Bonds8

About N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55764758) has the molecular formula C21H19NO5S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID55764758
Molecular FormulaC21H19NO5S2
Molecular Weight429.52 g/mol
Exact Mass429.07
IUPAC NameN-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C21H19NO5S2/c1-15(23)22-13-17-9-12-21(28-17)20(24)14-27-16-7-10-19(11-8-16)29(25,26)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyZTFRUYBJSKJSSN-UHFFFAOYSA-N
XLogP3.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8509645
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 8522827
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 8569042
N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
CID 55733106
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 8522614
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8521825
N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8521287
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
N-[[5-[2-(2-chloro-5-methylphenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 78800846
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 30036270
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide (CID 55764758) is N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)COc2ccc(S(=O)(=O)c3ccccc3)cc2)s1.
What is the InChIKey of N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is ZTFRUYBJSKJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S2/c1-15(23)22-13-17-9-12-21(28-17)20(24)14-27-16-7-10-19(11-8-16)29(25,26)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55764758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).