(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone

C14H10INO2S — CID 79685949

IUPAC(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3csc(I)c3)c2c1
InChIInChI=1S/C14H10INO2S/c1-18-9-2-3-12-10(5-9)11(6-16-12)14(17)8-4-13(15)19-7-8/h2-7,16H,1H3
InChIKeyZULHNEYHRZIVIY-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.07
Rot. Bonds3

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

(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 79685949) has the molecular formula C14H10INO2S and a molecular weight of 383.21 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID79685949
Molecular FormulaC14H10INO2S
Molecular Weight383.21 g/mol
Exact Mass382.95
IUPAC Name(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3csc(I)c3)c2c1
InChIInChI=1S/C14H10INO2S/c1-18-9-2-3-12-10(5-9)11(6-16-12)14(17)8-4-13(15)19-7-8/h2-7,16H,1H3
InChIKeyZULHNEYHRZIVIY-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685663
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
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

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone (CID 79685949) is (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3csc(I)c3)c2c1.
What is the InChIKey of (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is ZULHNEYHRZIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO2S/c1-18-9-2-3-12-10(5-9)11(6-16-12)14(17)8-4-13(15)19-7-8/h2-7,16H,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone?
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 383.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 79685949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).