(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C13H12BrNO2S — CID 129160714

IUPAC(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cccc(Br)c2s1)N1CCOCC1
InChIInChI=1S/C13H12BrNO2S/c14-10-3-1-2-9-8-11(18-12(9)10)13(16)15-4-6-17-7-5-15/h1-3,8H,4-7H2
InChIKeyFDHWUULXXAQIAT-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.14
Rot. Bonds1

About (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 129160714) has the molecular formula C13H12BrNO2S and a molecular weight of 326.21 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID129160714
Molecular FormulaC13H12BrNO2S
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cccc(Br)c2s1)N1CCOCC1
InChIInChI=1S/C13H12BrNO2S/c14-10-3-1-2-9-8-11(18-12(9)10)13(16)15-4-6-17-7-5-15/h1-3,8H,4-7H2
InChIKeyFDHWUULXXAQIAT-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
CID 121427368
4-[(7-bromo-1-benzothiophen-2-yl)methyl]morpholine
CID 117183219
(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017
7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide
CID 118056521
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
ethyl 7-bromo-1-benzothiophene-2-carboxylate
CID 71695295
4-bromo-N-methyl-N-[2-(morpholine-4-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide
CID 17246864
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491040
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[7-[3-(morpholine-4-carbonyl)phenyl]-1-benzothiophen-2-yl]ethanone
CID 58485549

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 129160714) is (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2cccc(Br)c2s1)N1CCOCC1.
What is the InChIKey of (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is FDHWUULXXAQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-10-3-1-2-9-8-11(18-12(9)10)13(16)15-4-6-17-7-5-15/h1-3,8H,4-7H2.
What are the key properties of (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 326.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 129160714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).