2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide

C16H16N2OS — CID 32986974

IUPAC2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCCc1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-15(13-6-2-3-7-14(13)18-11)16(19)17-9-8-12-5-4-10-20-12/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyZLIJZELLDVNSET-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.51
Rot. Bonds4

About 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide

2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide (PubChem CID 32986974) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
PubChem CID32986974
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCCc1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-15(13-6-2-3-7-14(13)18-11)16(19)17-9-8-12-5-4-10-20-12/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyZLIJZELLDVNSET-UHFFFAOYSA-N
XLogP3.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351457
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
CID 75369929
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49089233
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide (CID 32986974) is 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCCc1cccs1.
What is the InChIKey of 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is ZLIJZELLDVNSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-15(13-6-2-3-7-14(13)18-11)16(19)17-9-8-12-5-4-10-20-12/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide?
2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 32986974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).