(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone

C20H15NOS — CID 10914112

IUPAC(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c(-c3cccs3)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H15NOS/c1-13-8-10-14(11-9-13)20(22)18-15-5-2-3-6-16(15)21-19(18)17-7-4-12-23-17/h2-12,21H,1H3
InChIKeyOFYBAFJFWODKFK-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.44
Rot. Bonds3

About (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone

(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone (PubChem CID 10914112) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone
PubChem CID10914112
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c(-c3cccs3)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H15NOS/c1-13-8-10-14(11-9-13)20(22)18-15-5-2-3-6-16(15)21-19(18)17-7-4-12-23-17/h2-12,21H,1H3
InChIKeyOFYBAFJFWODKFK-UHFFFAOYSA-N
XLogP5.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone (CID 10914112) is (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone is Cc1ccc(C(=O)c2c(-c3cccs3)[nH]c3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone?
The InChIKey is OFYBAFJFWODKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-13-8-10-14(11-9-13)20(22)18-15-5-2-3-6-16(15)21-19(18)17-7-4-12-23-17/h2-12,21H,1H3.
What are the key properties of (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone?
(4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone has a molecular weight of 317.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-thiophen-2-yl-1H-indol-3-yl)methanone is sourced from PubChem (CID 10914112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).