[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

C16H14ClNO5S — CID 42964685

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESO=C(COc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO5S/c17-14-7-6-13(24-14)12(19)9-23-16(21)8-18-15(20)10-22-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,20)
InChIKeyYZONBGODUQNNSL-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.32
Rot. Bonds8

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 42964685) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID42964685
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESO=C(COc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO5S/c17-14-7-6-13(24-14)12(19)9-23-16(21)8-18-15(20)10-22-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,20)
InChIKeyYZONBGODUQNNSL-UHFFFAOYSA-N
XLogP2.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7884019
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide
CID 60773208
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964669
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503859
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 9108589
(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583505

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 42964685) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is O=C(COc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is YZONBGODUQNNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c17-14-7-6-13(24-14)12(19)9-23-16(21)8-18-15(20)10-22-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,20).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 367.81 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 42964685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).