7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide

C13H15NO3S — CID 67796779

IUPAC7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
SMILESCCCOc1c(C(N)=O)sc2c(OC)cccc12
InChIInChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15)
InChIKeyHPMHBROQNWLRQE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.80
Rot. Bonds5

About 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide

7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide (PubChem CID 67796779) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
PubChem CID67796779
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
SMILESCCCOc1c(C(N)=O)sc2c(OC)cccc12
InChIInChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15)
InChIKeyHPMHBROQNWLRQE-UHFFFAOYSA-N
XLogP2.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
(3R)-3-amino-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 9152418
7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid;propan-2-yl 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylate
CID 157060993
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
propan-2-yl 3-methoxy-2-propoxybenzoate
CID 82186231
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide (CID 67796779) is 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide is CCCOc1c(C(N)=O)sc2c(OC)cccc12.
What is the InChIKey of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The InChIKey is HPMHBROQNWLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 67796779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).