N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C24H28N2O2S — CID 45241782

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCSc1ccc(CC2(CCC(=O)NC3Cc4ccccc4C3)CCC(=O)N2)cc1
InChIInChI=1S/C24H28N2O2S/c1-29-21-8-6-17(7-9-21)16-24(13-11-23(28)26-24)12-10-22(27)25-20-14-18-4-2-3-5-19(18)15-20/h2-9,20H,10-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyUFCPODMFRLJCMT-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.66
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45241782) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45241782
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCSc1ccc(CC2(CCC(=O)NC3Cc4ccccc4C3)CCC(=O)N2)cc1
InChIInChI=1S/C24H28N2O2S/c1-29-21-8-6-17(7-9-21)16-24(13-11-23(28)26-24)12-10-22(27)25-20-14-18-4-2-3-5-19(18)15-20/h2-9,20H,10-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyUFCPODMFRLJCMT-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
(5R)-5-[(4-methylsulfanylphenyl)methyl]-5-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 29152960
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42238379
3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(R)-phenyl(pyridin-4-yl)methyl]propanamide
CID 42406204
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42463618
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42367001
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42366993
N-benzyl-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]propanamide
CID 42541591
N-[(4R)-2,2-dimethyloxan-4-yl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383086
N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383079
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42499256

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 45241782) is N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is CSc1ccc(CC2(CCC(=O)NC3Cc4ccccc4C3)CCC(=O)N2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is UFCPODMFRLJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-29-21-8-6-17(7-9-21)16-24(13-11-23(28)26-24)12-10-22(27)25-20-14-18-4-2-3-5-19(18)15-20/h2-9,20H,10-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 408.57 g/mol, XLogP of 3.66, 7 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-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45241782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).