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

C16H16N2OS — CID 588963

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyACAKNPKRLPMONU-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.51
Rot. Bonds4

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 588963) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID588963
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyACAKNPKRLPMONU-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

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-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide (CID 588963) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ACAKNPKRLPMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-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 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 588963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).