N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C18H20N2O3S — CID 111456305

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(C)(O)c2ccsc2)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12-9-20(15-6-4-3-5-14(12)15)17(22)16(21)19-11-18(2,23)13-7-8-24-10-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,21)
InChIKeyJCZOLTHEOOSZMB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.22
Rot. Bonds3

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 111456305) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID111456305
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(C)(O)c2ccsc2)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12-9-20(15-6-4-3-5-14(12)15)17(22)16(21)19-11-18(2,23)13-7-8-24-10-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,21)
InChIKeyJCZOLTHEOOSZMB-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 111456305) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)NCC(C)(O)c2ccsc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is JCZOLTHEOOSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-9-20(15-6-4-3-5-14(12)15)17(22)16(21)19-11-18(2,23)13-7-8-24-10-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111456305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).