(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C14H14ClNO4S — CID 67094205

IUPAC(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2c(Cl)c(C(=O)N3CCOCC3)sc2cc1O
InChIInChI=1S/C14H14ClNO4S/c1-19-10-6-8-11(7-9(10)17)21-13(12(8)15)14(18)16-2-4-20-5-3-16/h6-7,17H,2-5H2,1H3
InChIKeyDDRABKJMLQYVCM-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.74
Rot. Bonds2

About (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 67094205) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID67094205
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Name(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2c(Cl)c(C(=O)N3CCOCC3)sc2cc1O
InChIInChI=1S/C14H14ClNO4S/c1-19-10-6-8-11(7-9(10)17)21-13(12(8)15)14(18)16-2-4-20-5-3-16/h6-7,17H,2-5H2,1H3
InChIKeyDDRABKJMLQYVCM-UHFFFAOYSA-N
XLogP2.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
(7-bromo-3-chloro-5,6-dimethoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone;(7-bromo-3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 157357585
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
(3-chloro-5,6-dihydroxy-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 67094375
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 53014209
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17257113
(3,7-dichloro-6-methoxy-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 804179
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 81301846
(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
CID 169095615
3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide
CID 70525863
methyl 3-chloro-6-(morpholine-4-carbothioylamino)-1-benzothiophene-2-carboxylate
CID 17371452
[5-bromo-3-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 19002375

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 67094205) is (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is COc1cc2c(Cl)c(C(=O)N3CCOCC3)sc2cc1O.
What is the InChIKey of (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is DDRABKJMLQYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-19-10-6-8-11(7-9(10)17)21-13(12(8)15)14(18)16-2-4-20-5-3-16/h6-7,17H,2-5H2,1H3.
What are the key properties of (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 327.79 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 67094205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).