N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide

C16H16N2OS — CID 60659716

IUPACN-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-2-18(11-12-6-5-9-20-12)16(19)14-10-17-15-8-4-3-7-13(14)15/h3-10,17H,2,11H2,1H3
InChIKeyQVTDQCSKUZUACD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.89
Rot. Bonds4

About N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide

N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 60659716) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
PubChem CID60659716
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-2-18(11-12-6-5-9-20-12)16(19)14-10-17-15-8-4-3-7-13(14)15/h3-10,17H,2,11H2,1H3
InChIKeyQVTDQCSKUZUACD-UHFFFAOYSA-N
XLogP3.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650536
(2S)-2-amino-N-ethyl-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119956104
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
N-ethyl-1-oxo-N-(thiophen-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 33032493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide (CID 60659716) is N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide is CCN(Cc1cccs1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is QVTDQCSKUZUACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-18(11-12-6-5-9-20-12)16(19)14-10-17-15-8-4-3-7-13(14)15/h3-10,17H,2,11H2,1H3.
What are the key properties of N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide?
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 60659716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).