(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone

C15H12ClNO2S — CID 103400471

IUPAC(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3scc(C)c3Cl)c12
InChIInChI=1S/C15H12ClNO2S/c1-8-7-20-15(13(8)16)14(18)9-6-17-10-4-3-5-11(19-2)12(9)10/h3-7,17H,1-2H3
InChIKeyIABMDBWLFLYVAG-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.43
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone

(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 103400471) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID103400471
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3scc(C)c3Cl)c12
InChIInChI=1S/C15H12ClNO2S/c1-8-7-20-15(13(8)16)14(18)9-6-17-10-4-3-5-11(19-2)12(9)10/h3-7,17H,1-2H3
InChIKeyIABMDBWLFLYVAG-UHFFFAOYSA-N
XLogP4.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone (CID 103400471) is (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3scc(C)c3Cl)c12.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is IABMDBWLFLYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-8-7-20-15(13(8)16)14(18)9-6-17-10-4-3-5-11(19-2)12(9)10/h3-7,17H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 305.79 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 103400471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).