2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid

C15H15NO4S — CID 61058454

IUPAC2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H15NO4S/c17-14(7-6-13-5-2-8-21-13)16-11-3-1-4-12(9-11)20-10-15(18)19/h1-5,8-9H,6-7,10H2,(H,16,17)(H,18,19)
InChIKeyUEQNHJNTXMUHIB-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.78
Rot. Bonds7

About 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid

2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid (PubChem CID 61058454) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
PubChem CID61058454
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H15NO4S/c17-14(7-6-13-5-2-8-21-13)16-11-3-1-4-12(9-11)20-10-15(18)19/h1-5,8-9H,6-7,10H2,(H,16,17)(H,18,19)
InChIKeyUEQNHJNTXMUHIB-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
2-[[3-(3-thiophen-2-ylpropanoylamino)phenyl]methylsulfanyl]acetic acid
CID 119240584
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43369161
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid (CID 61058454) is 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)CCc2cccs2)c1.
What is the InChIKey of 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid?
The InChIKey is UEQNHJNTXMUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-14(7-6-13-5-2-8-21-13)16-11-3-1-4-12(9-11)20-10-15(18)19/h1-5,8-9H,6-7,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid?
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 61058454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).