5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

C17H19NO4S — CID 138030445

IUPAC5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(C2COCCN2Cc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C17H19NO4S/c1-21-13-4-2-12(3-5-13)15-11-22-9-8-18(15)10-14-6-7-16(23-14)17(19)20/h2-7,15H,8-11H2,1H3,(H,19,20)
InChIKeyWAFPDIPIHJUQFR-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.03
Rot. Bonds5

About 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 138030445) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
PubChem CID138030445
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(C2COCCN2Cc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C17H19NO4S/c1-21-13-4-2-12(3-5-13)15-11-22-9-8-18(15)10-14-6-7-16(23-14)17(19)20/h2-7,15H,8-11H2,1H3,(H,19,20)
InChIKeyWAFPDIPIHJUQFR-UHFFFAOYSA-N
XLogP3.03
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (CID 138030445) is 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is COc1ccc(C2COCCN2Cc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is WAFPDIPIHJUQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-21-13-4-2-12(3-5-13)15-11-22-9-8-18(15)10-14-6-7-16(23-14)17(19)20/h2-7,15H,8-11H2,1H3,(H,19,20).
What are the key properties of 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138030445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).