3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

C24H26N2O3S — CID 42368132

IUPAC3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)NCc3cccs3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C24H26N2O3S/c1-29-21-9-8-17(19-6-2-3-7-20(19)21)15-24(13-11-23(28)26-24)12-10-22(27)25-16-18-5-4-14-30-18/h2-9,14H,10-13,15-16H2,1H3,(H,25,27)(H,26,28)/t24-/m0/s1
InChIKeyPQLDWOUKKRRNEG-DEOSSOPVSA-N
MW422.55 g/mol
LogP4.20
Rot. Bonds8

About 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 42368132) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID42368132
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)NCc3cccs3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C24H26N2O3S/c1-29-21-9-8-17(19-6-2-3-7-20(19)21)15-24(13-11-23(28)26-24)12-10-22(27)25-16-18-5-4-14-30-18/h2-9,14H,10-13,15-16H2,1H3,(H,25,27)(H,26,28)/t24-/m0/s1
InChIKeyPQLDWOUKKRRNEG-DEOSSOPVSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
CID 45169176
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45176527
N-(1-hydroxypropan-2-yl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45173504
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 42248508
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 42366710
N-ethyl-N-(2-hydroxyethyl)-3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42167605
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 42429502
N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45228319

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 42368132) is 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is COc1ccc(C[C@]2(CCC(=O)NCc3cccs3)CCC(=O)N2)c2ccccc12.
What is the InChIKey of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PQLDWOUKKRRNEG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-29-21-9-8-17(19-6-2-3-7-20(19)21)15-24(13-11-23(28)26-24)12-10-22(27)25-16-18-5-4-14-30-18/h2-9,14H,10-13,15-16H2,1H3,(H,25,27)(H,26,28)/t24-/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 422.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 42368132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).