5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide

C17H15NO3S — CID 10086944

IUPAC5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(OCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO3S/c1-20-12-7-8-14-13(9-12)15(16(22-14)17(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyGIMSUGXZZQYGLU-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.59
Rot. Bonds5

About 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide

5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide (PubChem CID 10086944) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide
PubChem CID10086944
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(OCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO3S/c1-20-12-7-8-14-13(9-12)15(16(22-14)17(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyGIMSUGXZZQYGLU-UHFFFAOYSA-N
XLogP3.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
5-methoxy-N-(2-propoxybenzoyl)-1-benzothiophene-2-carboxamide
CID 168288381
N-(2,5-difluorobenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168295186
N-(4-fluoro-2-methoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168296728

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide (CID 10086944) is 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(N)=O)c(OCc3ccccc3)c2c1.
What is the InChIKey of 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide?
The InChIKey is GIMSUGXZZQYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-12-7-8-14-13(9-12)15(16(22-14)17(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide?
5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10086944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).