1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone

C21H17NOS — CID 157061659

IUPAC1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(-c3ccc4[nH]ccc4c3)s2)c1
InChIInChI=1S/C21H17NOS/c1-14-3-2-4-15(11-14)12-19(23)21-8-7-20(24-21)17-5-6-18-16(13-17)9-10-22-18/h2-11,13,22H,12H2,1H3
InChIKeyZXUZTCFYHHRRRQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.63
Rot. Bonds4

About 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone

1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone (PubChem CID 157061659) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
PubChem CID157061659
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(-c3ccc4[nH]ccc4c3)s2)c1
InChIInChI=1S/C21H17NOS/c1-14-3-2-4-15(11-14)12-19(23)21-8-7-20(24-21)17-5-6-18-16(13-17)9-10-22-18/h2-11,13,22H,12H2,1H3
InChIKeyZXUZTCFYHHRRRQ-UHFFFAOYSA-N
XLogP5.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
CID 160514462
1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
CID 159241460
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
CID 158169595
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 118716547
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
methyl 2-(1H-indol-5-yl)acetate
CID 43831379

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone (CID 157061659) is 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ccc(-c3ccc4[nH]ccc4c3)s2)c1.
What is the InChIKey of 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is ZXUZTCFYHHRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c1-14-3-2-4-15(11-14)12-19(23)21-8-7-20(24-21)17-5-6-18-16(13-17)9-10-22-18/h2-11,13,22H,12H2,1H3.
What are the key properties of 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone?
1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 331.44 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 157061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).