2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid

C16H17NO4S — CID 2810572

IUPAC2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C16H17NO4S/c18-15(11-21-12-16(19)20)17(10-14-7-4-8-22-14)9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20)
InChIKeyFYINGPPJWYENNQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.38
Rot. Bonds8

About 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 2810572) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID2810572
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C16H17NO4S/c18-15(11-21-12-16(19)20)17(10-14-7-4-8-22-14)9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20)
InChIKeyFYINGPPJWYENNQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid (CID 2810572) is 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is FYINGPPJWYENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-15(11-21-12-16(19)20)17(10-14-7-4-8-22-14)9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20).
What are the key properties of 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 319.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2810572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).