2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate

C15H15BrClNO3S — CID 19798623

IUPAC2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
SMILESO=C(OCCN1CCOCC1)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C15H15BrClNO3S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(19)21-8-5-18-3-6-20-7-4-18/h1-2,9H,3-8H2
InChIKeyMPNLQOPANVXPTB-UHFFFAOYSA-N
MW404.71 g/mol
LogP3.81
Rot. Bonds4

About 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate

2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 19798623) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
PubChem CID19798623
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC Name2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
SMILESO=C(OCCN1CCOCC1)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C15H15BrClNO3S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(19)21-8-5-18-3-6-20-7-4-18/h1-2,9H,3-8H2
InChIKeyMPNLQOPANVXPTB-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
CID 131145979
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
2-morpholin-4-ylethyl 2-[1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-5-chloroindazol-3-yl]acetate;hydrochloride
CID 67825648
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
methyl 3-chloro-6-(morpholine-4-carbothioylamino)-1-benzothiophene-2-carboxylate
CID 17371452
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate (CID 19798623) is 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate is O=C(OCCN1CCOCC1)c1sc2cc(Br)ccc2c1Cl.
What is the InChIKey of 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is MPNLQOPANVXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(19)21-8-5-18-3-6-20-7-4-18/h1-2,9H,3-8H2.
What are the key properties of 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate?
2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 404.71 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 19798623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).