2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid

C20H17NO5S — CID 28860628

IUPAC2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
SMILESCOc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C20H17NO5S/c1-25-15-9-5-6-10-16(15)26-12-18(22)21-19-14(20(23)24)11-17(27-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZESPDZJMLTXJNP-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.14
Rot. Bonds7

About 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid

2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid (PubChem CID 28860628) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
PubChem CID28860628
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
SMILESCOc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C20H17NO5S/c1-25-15-9-5-6-10-16(15)26-12-18(22)21-19-14(20(23)24)11-17(27-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZESPDZJMLTXJNP-UHFFFAOYSA-N
XLogP4.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_G(2)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860630
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 28858761
ethyl 5-phenyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 35569915
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340
tert-butyl 2-[[2-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylthiophen-2-yl]amino]-2-oxoethoxy]acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 46211002
2-(2-methoxyphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897192
5-phenyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 68769318
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid (CID 28860628) is 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid is COc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid?
The InChIKey is ZESPDZJMLTXJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-25-15-9-5-6-10-16(15)26-12-18(22)21-19-14(20(23)24)11-17(27-19)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid?
2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 28860628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).