N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide

C16H16N2O2S — CID 102712059

IUPACN-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H16N2O2S/c1-2-18(10-13-4-3-7-21-13)16(20)12-6-5-11-9-15(19)17-14(11)8-12/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyGDTFRLMWDSNMHG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds4

About N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide

N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide (PubChem CID 102712059) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
PubChem CID102712059
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H16N2O2S/c1-2-18(10-13-4-3-7-21-13)16(20)12-6-5-11-9-15(19)17-14(11)8-12/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyGDTFRLMWDSNMHG-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide (CID 102712059) is N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide is CCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide?
The InChIKey is GDTFRLMWDSNMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-18(10-13-4-3-7-21-13)16(20)12-6-5-11-9-15(19)17-14(11)8-12/h3-8H,2,9-10H2,1H3,(H,17,19).
What are the key properties of N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide?
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).