(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone

C15H13NO3S — CID 81127463

IUPAC(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sccc3OC)c2c1
InChIInChI=1S/C15H13NO3S/c1-18-9-3-4-12-10(7-9)11(8-16-12)14(17)15-13(19-2)5-6-20-15/h3-8,16H,1-2H3
InChIKeyHQXAETKVHMYOQO-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.48
Rot. Bonds4

About (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone

(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127463) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81127463
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3sccc3OC)c2c1
InChIInChI=1S/C15H13NO3S/c1-18-9-3-4-12-10(7-9)11(8-16-12)14(17)15-13(19-2)5-6-20-15/h3-8,16H,1-2H3
InChIKeyHQXAETKVHMYOQO-UHFFFAOYSA-N
XLogP3.48
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151388

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone (CID 81127463) is (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone is COc1ccc2[nH]cc(C(=O)c3sccc3OC)c2c1.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is HQXAETKVHMYOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-18-9-3-4-12-10(7-9)11(8-16-12)14(17)15-13(19-2)5-6-20-15/h3-8,16H,1-2H3.
What are the key properties of (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone?
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).