2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid

C16H19NO3S — CID 61436692

IUPAC2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
SMILESCCN(CCOc1ccccc1C(=O)O)Cc1cccs1
InChIInChI=1S/C16H19NO3S/c1-2-17(12-13-6-5-11-21-13)9-10-20-15-8-4-3-7-14(15)16(18)19/h3-8,11H,2,9-10,12H2,1H3,(H,18,19)
InChIKeyMQEGGVWBRNQYPR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.35
Rot. Bonds8

About 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid

2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid (PubChem CID 61436692) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
PubChem CID61436692
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
SMILESCCN(CCOc1ccccc1C(=O)O)Cc1cccs1
InChIInChI=1S/C16H19NO3S/c1-2-17(12-13-6-5-11-21-13)9-10-20-15-8-4-3-7-14(15)16(18)19/h3-8,11H,2,9-10,12H2,1H3,(H,18,19)
InChIKeyMQEGGVWBRNQYPR-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid
CID 43532580
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
CID 61439178
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539
2-ethoxy-N-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18163395
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid (CID 61436692) is 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid is CCN(CCOc1ccccc1C(=O)O)Cc1cccs1.
What is the InChIKey of 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid?
The InChIKey is MQEGGVWBRNQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-17(12-13-6-5-11-21-13)9-10-20-15-8-4-3-7-14(15)16(18)19/h3-8,11H,2,9-10,12H2,1H3,(H,18,19).
What are the key properties of 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid?
2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid has a molecular weight of 305.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 61436692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).