1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone

C16H16N2OS — CID 60650536

IUPAC1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)Cc1cccs1
InChIInChI=1S/C16H16N2OS/c1-18(10-12-5-4-8-20-12)11-16(19)14-9-17-15-7-3-2-6-13(14)15/h2-9,17H,10-11H2,1H3
InChIKeyRLBPPECPCCNOMC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.54
Rot. Bonds5

About 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone

1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (PubChem CID 60650536) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
PubChem CID60650536
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)Cc1cccs1
InChIInChI=1S/C16H16N2OS/c1-18(10-12-5-4-8-20-12)11-16(19)14-9-17-15-7-3-2-6-13(14)15/h2-9,17H,10-11H2,1H3
InChIKeyRLBPPECPCCNOMC-UHFFFAOYSA-N
XLogP3.54
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 2452418
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 109397668
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (CID 60650536) is 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone is CN(CC(=O)c1c[nH]c2ccccc12)Cc1cccs1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The InChIKey is RLBPPECPCCNOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(10-12-5-4-8-20-12)11-16(19)14-9-17-15-7-3-2-6-13(14)15/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone has a molecular weight of 284.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 60650536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).