(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C14H14FNO3S — CID 53014209

IUPAC(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1c(C(=O)N2CCOCC2)sc2ccc(F)cc12
InChIInChI=1S/C14H14FNO3S/c1-18-12-10-8-9(15)2-3-11(10)20-13(12)14(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeySLJARGGQANGENI-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.52
Rot. Bonds2

About (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 53014209) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID53014209
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1c(C(=O)N2CCOCC2)sc2ccc(F)cc12
InChIInChI=1S/C14H14FNO3S/c1-18-12-10-8-9(15)2-3-11(10)20-13(12)14(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeySLJARGGQANGENI-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50846112
(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53014197
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
[5-bromo-3-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 19002375
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 81301846
(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094205
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide
CID 95058267

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 53014209) is (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is COc1c(C(=O)N2CCOCC2)sc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is SLJARGGQANGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-18-12-10-8-9(15)2-3-11(10)20-13(12)14(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3.
What are the key properties of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 295.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 53014209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).