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

C11H11NO3S — CID 10105576

IUPAC3,5-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(OC)c2c1
InChIInChI=1S/C11H11NO3S/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13)
InChIKeyWOYSHYDZQGNISB-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.02
Rot. Bonds3

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

3,5-dimethoxy-1-benzothiophene-2-carboxamide (PubChem CID 10105576) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3,5-dimethoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethoxy-1-benzothiophene-2-carboxamide
PubChem CID10105576
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3,5-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(OC)c2c1
InChIInChI=1S/C11H11NO3S/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13)
InChIKeyWOYSHYDZQGNISB-UHFFFAOYSA-N
XLogP2.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
3-Isopropoxy-5-methoxybenzo(b)thiophene-2-carboxamide
CID 128677
9-methoxy-3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]oxazepin-5-one
CID 512548
N,5-dimethoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 58047131
3-Chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 652152
5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 137635339
N-benzyl-5-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 137648707
N-benzyl-5-methoxy-1-benzothiophene-2-carboxamide
CID 137657739
N-(5-fluoro-2-methoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168271123
5-methoxy-N-[2-(trifluoromethoxy)benzoyl]-1-benzothiophene-2-carboxamide
CID 168271184
N-(2-ethoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168275200
5-methoxy-N-(2-methoxybenzoyl)-1-benzothiophene-2-carboxamide
CID 168284135

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,5-dimethoxy-1-benzothiophene-2-carboxamide (CID 10105576) is 3,5-dimethoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,5-dimethoxy-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(N)=O)c(OC)c2c1.
What is the InChIKey of 3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The InChIKey is WOYSHYDZQGNISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13).
What are the key properties of 3,5-dimethoxy-1-benzothiophene-2-carboxamide?
3,5-dimethoxy-1-benzothiophene-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10105576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).