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

C18H20N2OS — CID 20940082

IUPAC1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C18H20N2OS/c1-4-20-13(3)12(2)16-10-14(7-8-17(16)20)18(21)19-11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3,(H,19,21)
InChIKeyYSUAXHRAGAAUCB-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.27
Rot. Bonds4

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

1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide (PubChem CID 20940082) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
PubChem CID20940082
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C18H20N2OS/c1-4-20-13(3)12(2)16-10-14(7-8-17(16)20)18(21)19-11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3,(H,19,21)
InChIKeyYSUAXHRAGAAUCB-UHFFFAOYSA-N
XLogP4.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.27
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-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The IUPAC name of 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide (CID 20940082) is 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NCc3cccs3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The InChIKey is YSUAXHRAGAAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-4-20-13(3)12(2)16-10-14(7-8-17(16)20)18(21)19-11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3,(H,19,21).
What are the key properties of 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-N-(thiophen-2-ylmethyl)indole-5-carboxamide is sourced from PubChem (CID 20940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).