N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

C21H24N2O2S — CID 45221734

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2cccs2)CCC(=O)N1)NC1CCc2ccccc21
InChIInChI=1S/C21H24N2O2S/c24-19(22-18-8-7-15-4-1-2-6-17(15)18)9-11-21(12-10-20(25)23-21)14-16-5-3-13-26-16/h1-6,13,18H,7-12,14H2,(H,22,24)(H,23,25)
InChIKeyMHKJFRRUZNMIAJ-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.52
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (PubChem CID 45221734) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
PubChem CID45221734
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2cccs2)CCC(=O)N1)NC1CCc2ccccc21
InChIInChI=1S/C21H24N2O2S/c24-19(22-18-8-7-15-4-1-2-6-17(15)18)9-11-21(12-10-20(25)23-21)14-16-5-3-13-26-16/h1-6,13,18H,7-12,14H2,(H,22,24)(H,23,25)
InChIKeyMHKJFRRUZNMIAJ-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (CID 45221734) is N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is O=C(CCC1(Cc2cccs2)CCC(=O)N1)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The InChIKey is MHKJFRRUZNMIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-19(22-18-8-7-15-4-1-2-6-17(15)18)9-11-21(12-10-20(25)23-21)14-16-5-3-13-26-16/h1-6,13,18H,7-12,14H2,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45221734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).