N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide

C23H24N2O3S — CID 8613496

IUPACN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C23H24N2O3S/c1-27-17-9-10-18(21(14-17)28-2)23(26)24-15-20(22-8-5-13-29-22)25-12-11-16-6-3-4-7-19(16)25/h3-10,13-14,20H,11-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyMZABGVQUEJESFY-HXUWFJFHSA-N
MW408.52 g/mol
LogP4.30
Rot. Bonds7

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

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide (PubChem CID 8613496) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
PubChem CID8613496
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C23H24N2O3S/c1-27-17-9-10-18(21(14-17)28-2)23(26)24-15-20(22-8-5-13-29-22)25-12-11-16-6-3-4-7-19(16)25/h3-10,13-14,20H,11-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyMZABGVQUEJESFY-HXUWFJFHSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7179487
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006385
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(3-methoxyphenyl)oxamide
CID 18577792
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 7179343
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180956
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180955
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41181009
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 41180985
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide
CID 7179549
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41181049
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide (CID 8613496) is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c(OC)c1.
What is the InChIKey of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide?
The InChIKey is MZABGVQUEJESFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-17-9-10-18(21(14-17)28-2)23(26)24-15-20(22-8-5-13-29-22)25-12-11-16-6-3-4-7-19(16)25/h3-10,13-14,20H,11-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide?
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 8613496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).