2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone

C14H14ClNO2S — CID 5047819

IUPAC2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c(Cl)sc2ccccc12)N1CCOCC1
InChIInChI=1S/C14H14ClNO2S/c15-14-11(10-3-1-2-4-12(10)19-14)9-13(17)16-5-7-18-8-6-16/h1-4H,5-9H2
InChIKeySGURSSMJOCZBOU-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.96
Rot. Bonds2

About 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone

2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone (PubChem CID 5047819) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
PubChem CID5047819
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c(Cl)sc2ccccc12)N1CCOCC1
InChIInChI=1S/C14H14ClNO2S/c15-14-11(10-3-1-2-4-12(10)19-14)9-13(17)16-5-7-18-8-6-16/h1-4H,5-9H2
InChIKeySGURSSMJOCZBOU-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone (CID 5047819) is 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone is O=C(Cc1c(Cl)sc2ccccc12)N1CCOCC1.
What is the InChIKey of 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is SGURSSMJOCZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-14-11(10-3-1-2-4-12(10)19-14)9-13(17)16-5-7-18-8-6-16/h1-4H,5-9H2.
What are the key properties of 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone?
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 295.79 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 5047819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).