(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one

C16H15NOS — CID 102274489

IUPAC(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
SMILESCC(=O)C[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15NOS/c1-11(18)9-13(16-7-4-8-19-16)14-10-17-15-6-3-2-5-12(14)15/h2-8,10,13,17H,9H2,1H3/t13-/m1/s1
InChIKeyRVCQVQKWNIMYSK-CYBMUJFWSA-N
MW269.37 g/mol
LogP4.34
Rot. Bonds4

About (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one

(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one (PubChem CID 102274489) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
PubChem CID102274489
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
SMILESCC(=O)C[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15NOS/c1-11(18)9-13(16-7-4-8-19-16)14-10-17-15-6-3-2-5-12(14)15/h2-8,10,13,17H,9H2,1H3/t13-/m1/s1
InChIKeyRVCQVQKWNIMYSK-CYBMUJFWSA-N
XLogP4.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(4R)-4-(5-bromothiophen-2-yl)-4-(1H-indol-3-yl)butan-2-one
CID 122209106
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645734
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one?
The IUPAC name of (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one (CID 102274489) is (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one is CC(=O)C[C@@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one?
The InChIKey is RVCQVQKWNIMYSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15NOS/c1-11(18)9-13(16-7-4-8-19-16)14-10-17-15-6-3-2-5-12(14)15/h2-8,10,13,17H,9H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one?
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one has a molecular weight of 269.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 102274489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).