N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide

C17H18N2O2S — CID 600054

IUPACN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cccs3)c2c1
InChIInChI=1S/C17H18N2O2S/c1-11-13(7-8-18-17(20)16-4-3-9-22-16)14-10-12(21-2)5-6-15(14)19-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyRARVGZDNSDDCSP-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide

N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 600054) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID600054
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cccs3)c2c1
InChIInChI=1S/C17H18N2O2S/c1-11-13(7-8-18-17(20)16-4-3-9-22-16)14-10-12(21-2)5-6-15(14)19-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyRARVGZDNSDDCSP-UHFFFAOYSA-N
XLogP3.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
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 N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide (CID 600054) is N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide is COc1ccc2[nH]c(C)c(CCNC(=O)c3cccs3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is RARVGZDNSDDCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-13(7-8-18-17(20)16-4-3-9-22-16)14-10-12(21-2)5-6-15(14)19-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 600054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).