N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide

C23H24N2O2S — CID 41180955

IUPACN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-27-19-11-9-18(10-12-19)23(26)24-16-21(22-8-5-15-28-22)25-14-13-17-6-3-4-7-20(17)25/h3-12,15,21H,2,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUJMRXTBJPRIPRO-NRFANRHFSA-N
MW392.52 g/mol
LogP4.68
Rot. Bonds7

About N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide (PubChem CID 41180955) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
PubChem CID41180955
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-27-19-11-9-18(10-12-19)23(26)24-16-21(22-8-5-15-28-22)25-14-13-17-6-3-4-7-20(17)25/h3-12,15,21H,2,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUJMRXTBJPRIPRO-NRFANRHFSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180956
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525308
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
CID 8613496
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7179487
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 16832817
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 18577693
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The IUPAC name of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide (CID 41180955) is N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The InChIKey is UJMRXTBJPRIPRO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-27-19-11-9-18(10-12-19)23(26)24-16-21(22-8-5-15-28-22)25-14-13-17-6-3-4-7-20(17)25/h3-12,15,21H,2,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide has a molecular weight of 392.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide is sourced from PubChem (CID 41180955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).