1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone

C17H19NO2S — CID 155687565

IUPAC1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1
InChIInChI=1S/C17H19NO2S/c1-13(19)16-6-7-17(21-16)15-5-3-2-4-14(15)12-18-8-10-20-11-9-18/h2-7H,8-12H2,1H3
InChIKeyKQAAQJYZXZUANG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds4

About 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone

1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone (PubChem CID 155687565) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
PubChem CID155687565
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1
InChIInChI=1S/C17H19NO2S/c1-13(19)16-6-7-17(21-16)15-5-3-2-4-14(15)12-18-8-10-20-11-9-18/h2-7H,8-12H2,1H3
InChIKeyKQAAQJYZXZUANG-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone
CID 63400476
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572
N-[(1R)-1-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]ethyl]acetamide
CID 97455580
CID 131887032
CID 131887032
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
N-[5-[2-(morpholin-4-ylmethyl)phenyl]quinolin-8-yl]acetamide
CID 50964889
2-[2-(morpholin-4-ylmethyl)phenyl]pyridine-4-carboxamide
CID 50967003
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone (CID 155687565) is 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1.
What is the InChIKey of 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone?
The InChIKey is KQAAQJYZXZUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(19)16-6-7-17(21-16)15-5-3-2-4-14(15)12-18-8-10-20-11-9-18/h2-7H,8-12H2,1H3.
What are the key properties of 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone?
1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone has a molecular weight of 301.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 155687565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).