5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid

C15H15NO3S — CID 3237808

IUPAC5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C15H15NO3S/c17-15(18)13-10-12(11-4-2-1-3-5-11)14(20-13)16-6-8-19-9-7-16/h1-5,10H,6-9H2,(H,17,18)
InChIKeyRQGNZHXSTGABNZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.95
Rot. Bonds3

About 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid

5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid (PubChem CID 3237808) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid
PubChem CID3237808
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C15H15NO3S/c17-15(18)13-10-12(11-4-2-1-3-5-11)14(20-13)16-6-8-19-9-7-16/h1-5,10H,6-9H2,(H,17,18)
InChIKeyRQGNZHXSTGABNZ-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid?
The IUPAC name of 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid (CID 3237808) is 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid?
The InChIKey is RQGNZHXSTGABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(18)13-10-12(11-4-2-1-3-5-11)14(20-13)16-6-8-19-9-7-16/h1-5,10H,6-9H2,(H,17,18).
What are the key properties of 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid?
5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 3237808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).