3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide

C11H10ClNO3S — CID 70525863

IUPAC3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(N)=O)c(Cl)c2cc1OC
InChIInChI=1S/C11H10ClNO3S/c1-15-6-3-5-8(4-7(6)16-2)17-10(9(5)12)11(13)14/h3-4H,1-2H3,(H2,13,14)
InChIKeyHTJQVMYXJUCNEY-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.67
Rot. Bonds3

About 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide

3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide (PubChem CID 70525863) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide
PubChem CID70525863
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(N)=O)c(Cl)c2cc1OC
InChIInChI=1S/C11H10ClNO3S/c1-15-6-3-5-8(4-7(6)16-2)17-10(9(5)12)11(13)14/h3-4H,1-2H3,(H2,13,14)
InChIKeyHTJQVMYXJUCNEY-UHFFFAOYSA-N
XLogP2.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-6-propan-2-yloxy-1-benzothiophene-2-carbonyl chloride
CID 94732896
3-chloro-5-methoxy-6-methyl-1-benzothiophene-2-carbonyl chloride
CID 75366830
N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71656771
methyl 3-chloro-6-[(3,4-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
CID 19677412
N'-hydroxy-5,6-dimethoxy-3-methyl-1-benzothiophene-2-carboximidamide
CID 54435777
(2-methoxyphenyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 26101594
N-[4-[2-(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)hydrazinyl]phenyl]-4-methylbenzamide
CID 174675332
(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094205
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
methyl 3-chloro-6-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate
CID 19680179
(4,5-dimethoxy-2-methylphenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 7824780
methyl 4-(3-bromo-5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoate
CID 162427295

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide (CID 70525863) is 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide is COc1cc2sc(C(N)=O)c(Cl)c2cc1OC.
What is the InChIKey of 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide?
The InChIKey is HTJQVMYXJUCNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-15-6-3-5-8(4-7(6)16-2)17-10(9(5)12)11(13)14/h3-4H,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide?
3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide has a molecular weight of 271.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 70525863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).