1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone

C15H12ClNOS — CID 63554614

IUPAC1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H12ClNOS/c1-10-2-3-12-11(8-10)6-7-17(12)9-13(18)14-4-5-15(16)19-14/h2-8H,9H2,1H3
InChIKeyBPTHWWPODNUMJR-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.55
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone (PubChem CID 63554614) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
PubChem CID63554614
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H12ClNOS/c1-10-2-3-12-11(8-10)6-7-17(12)9-13(18)14-4-5-15(16)19-14/h2-8H,9H2,1H3
InChIKeyBPTHWWPODNUMJR-UHFFFAOYSA-N
XLogP4.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone (CID 63554614) is 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone is Cc1ccc2c(ccn2CC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone?
The InChIKey is BPTHWWPODNUMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-10-2-3-12-11(8-10)6-7-17(12)9-13(18)14-4-5-15(16)19-14/h2-8H,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone has a molecular weight of 289.79 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone is sourced from PubChem (CID 63554614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).