4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid

C17H18N2O4S — CID 166295875

IUPAC4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1csc(C(=O)O)c1
InChIInChI=1S/C17H18N2O4S/c20-16(13-9-15(17(21)22)24-11-13)18-14-4-2-1-3-12(14)10-19-5-7-23-8-6-19/h1-4,9,11H,5-8,10H2,(H,18,20)(H,21,22)
InChIKeyMXBLCVKCMYZPFN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.53
Rot. Bonds5

About 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid

4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 166295875) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID166295875
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccccc1CN1CCOCC1)c1csc(C(=O)O)c1
InChIInChI=1S/C17H18N2O4S/c20-16(13-9-15(17(21)22)24-11-13)18-14-4-2-1-3-12(14)10-19-5-7-23-8-6-19/h1-4,9,11H,5-8,10H2,(H,18,20)(H,21,22)
InChIKeyMXBLCVKCMYZPFN-UHFFFAOYSA-N
XLogP2.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131919078
1-ethyl-4,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]-2-oxopyridine-3-carboxamide
CID 131905733
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55900084
1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131909926
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
CID 131887032
CID 131887032

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid (CID 166295875) is 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid is O=C(Nc1ccccc1CN1CCOCC1)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MXBLCVKCMYZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(13-9-15(17(21)22)24-11-13)18-14-4-2-1-3-12(14)10-19-5-7-23-8-6-19/h1-4,9,11H,5-8,10H2,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 166295875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).