ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate

C14H14O4S2 — CID 106676969

IUPACethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
SMILESCCOC(=O)C(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14O4S2/c1-2-18-14(15)13(11-7-4-3-5-8-11)20(16,17)12-9-6-10-19-12/h3-10,13H,2H2,1H3
InChIKeyMSFHPXBTCROXSC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate

ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate (PubChem CID 106676969) has the molecular formula C14H14O4S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
PubChem CID106676969
Molecular FormulaC14H14O4S2
Molecular Weight310.40 g/mol
Exact Mass310.03
IUPAC Nameethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
SMILESCCOC(=O)C(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14O4S2/c1-2-18-14(15)13(11-7-4-3-5-8-11)20(16,17)12-9-6-10-19-12/h3-10,13H,2H2,1H3
InChIKeyMSFHPXBTCROXSC-UHFFFAOYSA-N
XLogP2.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Idph 8261
CID 130978
Methyl 3-(chlorosulfonyl)-5-phenylthiophene-2-carboxylate
CID 14145082
6-[5-(3-Phenylpropyl)thiophen-2-yl]sulfonylhexanoic acid
CID 15667471
Ethyl 2-[4-(4-fluorophenyl)thiophen-3-yl]acetate
CID 101950797
Ethyl 3-fluorophenyl(phenylsulfonyl)acetate
CID 12035732
ethyl (E)-3-fluoro-2-phenyl-3-thiophen-3-ylprop-2-enoate
CID 162415928
ethyl (2E,4E)-3-fluoro-2-phenyl-5-thiophen-2-ylpenta-2,4-dienoate
CID 177852459
Ethyl 2-(4-phenylthiophen-2-yl)acetate
CID 102223582
Ethyl 4-(methylsulfonyl)phenylacetate
CID 12238955
3-[5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-thiophen-2-yl]-propionic acid ethyl ester
CID 44330480
Methyl 5-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]thiophene-2-acetate
CID 11795515
Methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate
CID 58753334

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate?
The IUPAC name of ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate (CID 106676969) is ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate?
The canonical SMILES for ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate is CCOC(=O)C(c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate?
The InChIKey is MSFHPXBTCROXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S2/c1-2-18-14(15)13(11-7-4-3-5-8-11)20(16,17)12-9-6-10-19-12/h3-10,13H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate?
ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate has a molecular weight of 310.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate is sourced from PubChem (CID 106676969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).