N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C16H16N2O3S — CID 111441433

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc21)NCC(O)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c19-14(10-5-6-22-9-10)8-17-15(20)7-12-11-3-1-2-4-13(11)18-16(12)21/h1-6,9,12,14,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyXQNORDLDFRQMET-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.02
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 111441433) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID111441433
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc21)NCC(O)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c19-14(10-5-6-22-9-10)8-17-15(20)7-12-11-3-1-2-4-13(11)18-16(12)21/h1-6,9,12,14,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyXQNORDLDFRQMET-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 111441433) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is O=C(CC1C(=O)Nc2ccccc21)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is XQNORDLDFRQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-14(10-5-6-22-9-10)8-17-15(20)7-12-11-3-1-2-4-13(11)18-16(12)21/h1-6,9,12,14,19H,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 111441433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).