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

C14H11NO2S — CID 81127045

IUPAC1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c1-17-12-6-7-18-14(12)13(16)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3
InChIKeyYBRUDBSGGFDDGD-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.47
Rot. Bonds3

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

1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127045) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
PubChem CID81127045
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c1-17-12-6-7-18-14(12)13(16)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3
InChIKeyYBRUDBSGGFDDGD-UHFFFAOYSA-N
XLogP3.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127573
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
(Z)-2-(5,6-dimethoxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid
CID 22410568
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone (CID 81127045) is 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone?
The InChIKey is YBRUDBSGGFDDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-12-6-7-18-14(12)13(16)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3.
What are the key properties of 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone?
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone has a molecular weight of 257.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).