[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate

C15H13F2NO4S — CID 2612480

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1cccs1
InChIInChI=1S/C15H13F2NO4S/c16-15(17)22-11-5-3-10(4-6-11)14(20)21-9-13(19)18-8-12-2-1-7-23-12/h1-7,15H,8-9H2,(H,18,19)
InChIKeyOHIODIJJMOGCTH-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.82
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate (PubChem CID 2612480) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate
PubChem CID2612480
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1cccs1
InChIInChI=1S/C15H13F2NO4S/c16-15(17)22-11-5-3-10(4-6-11)14(20)21-9-13(19)18-8-12-2-1-7-23-12/h1-7,15H,8-9H2,(H,18,19)
InChIKeyOHIODIJJMOGCTH-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene derivative, 3f
CID 25023799
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2105289
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 2364065
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2364828
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[2-[5-(Acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxybenzoate
CID 8431942
4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 897479
4-butoxy-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 4920966
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2105197

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate (CID 2612480) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is OHIODIJJMOGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c16-15(17)22-11-5-3-10(4-6-11)14(20)21-9-13(19)18-8-12-2-1-7-23-12/h1-7,15H,8-9H2,(H,18,19).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 341.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 2612480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).