ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate

C15H16FNO4S2 — CID 4171320

IUPACethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4S2/c1-2-21-15(18)11-17(10-13-4-3-9-22-13)23(19,20)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3
InChIKeyHNPRFNOZCLCNAC-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate

ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate (PubChem CID 4171320) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
PubChem CID4171320
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC Nameethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4S2/c1-2-21-15(18)11-17(10-13-4-3-9-22-13)23(19,20)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3
InChIKeyHNPRFNOZCLCNAC-UHFFFAOYSA-N
XLogP2.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate (CID 4171320) is ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is HNPRFNOZCLCNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-2-21-15(18)11-17(10-13-4-3-9-22-13)23(19,20)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate?
ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 357.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 4171320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).