N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide

C15H16N2O2S — CID 2766134

IUPACN-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C15H16N2O2S/c1-17-12-6-4-3-5-10(12)11-9-13(20-15(11)17)14(18)16-7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyRIBVBLGXRKKONU-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.77
Rot. Bonds4

About N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide

N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide (PubChem CID 2766134) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide
PubChem CID2766134
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C15H16N2O2S/c1-17-12-6-4-3-5-10(12)11-9-13(20-15(11)17)14(18)16-7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyRIBVBLGXRKKONU-UHFFFAOYSA-N
XLogP2.77
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide (CID 2766134) is N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide is COCCNC(=O)c1cc2c3ccccc3n(C)c2s1.
What is the InChIKey of N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The InChIKey is RIBVBLGXRKKONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17-12-6-4-3-5-10(12)11-9-13(20-15(11)17)14(18)16-7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylthieno[2,3-b]indole-2-carboxamide is sourced from PubChem (CID 2766134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).