1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide

C17H18N2OS — CID 3641574

IUPAC1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C17H18N2OS/c1-11-12(2)19(3)16-7-6-13(9-15(11)16)17(20)18-10-14-5-4-8-21-14/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyBVBVUNVZWFGPOP-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.79
Rot. Bonds3

About 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide

1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide (PubChem CID 3641574) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
PubChem CID3641574
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C17H18N2OS/c1-11-12(2)19(3)16-7-6-13(9-15(11)16)17(20)18-10-14-5-4-8-21-14/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyBVBVUNVZWFGPOP-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The IUPAC name of 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide (CID 3641574) is 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide.
What is the SMILES notation for 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The canonical SMILES for 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12.
What is the InChIKey of 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The InChIKey is BVBVUNVZWFGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-12(2)19(3)16-7-6-13(9-15(11)16)17(20)18-10-14-5-4-8-21-14/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide is sourced from PubChem (CID 3641574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).