[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone

C19H16FNOS2 — CID 129160743

IUPAC[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCSCC1
InChIInChI=1S/C19H16FNOS2/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
InChIKeyDYLXOOZHZHXFCQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.90
Rot. Bonds2

About [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone

[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 129160743) has the molecular formula C19H16FNOS2 and a molecular weight of 357.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID129160743
Molecular FormulaC19H16FNOS2
Molecular Weight357.48 g/mol
Exact Mass357.07
IUPAC Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCSCC1
InChIInChI=1S/C19H16FNOS2/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
InChIKeyDYLXOOZHZHXFCQ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
(4-Isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethyl)benzo[b]thiophen-5-yl)methanone
CID 52946526
(3R)-3-amino-1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70697124
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 122188498
US10501473, Example 39
CID 129160740
2,2-Diphenyl-1-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-ethanone
CID 1147951
1-(1-Benzothien-3-ylcarbonyl)azepane
CID 1245639
(4-Fluoro-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone
CID 1477947
3,4-dihydro-1H-isoquinolin-2-yl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4015631
3-[2-(Dimethylamino)ethyl]-11-thia-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
CID 11151488
3-[2-(Dimethylamino)ethyl]-13-thia-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione
CID 11450162
2-(1-benzothiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 16011871

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone (CID 129160743) is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone is O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCSCC1.
What is the InChIKey of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is DYLXOOZHZHXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS2/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2.
What are the key properties of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone?
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 357.48 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 129160743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).