[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone

C17H19NO3S — CID 72909845

IUPAC[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESCCSc1cccc(-c2ccc(C(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C17H19NO3S/c1-2-22-14-5-3-4-13(12-14)15-6-7-16(21-15)17(19)18-8-10-20-11-9-18/h3-7,12H,2,8-11H2,1H3
InChIKeyGTFPHZMCIFWNGC-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.53
Rot. Bonds4

About [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone

[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 72909845) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone
PubChem CID72909845
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESCCSc1cccc(-c2ccc(C(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C17H19NO3S/c1-2-22-14-5-3-4-13(12-14)15-6-7-16(21-15)17(19)18-8-10-20-11-9-18/h3-7,12H,2,8-11H2,1H3
InChIKeyGTFPHZMCIFWNGC-UHFFFAOYSA-N
XLogP3.53
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
[5-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 95195380
[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 91679685
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
CID 72927383
[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 44585641
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone (CID 72909845) is [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone is CCSc1cccc(-c2ccc(C(=O)N3CCOCC3)o2)c1.
What is the InChIKey of [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GTFPHZMCIFWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-22-14-5-3-4-13(12-14)15-6-7-16(21-15)17(19)18-8-10-20-11-9-18/h3-7,12H,2,8-11H2,1H3.
What are the key properties of [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone?
[5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethylsulfanylphenyl)furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72909845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).