3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide

C26H29N3O4S — CID 42212057

IUPAC3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)NCc3scnc3-c3ccccc3)CCC(=O)N2)cc1OC
InChIInChI=1S/C26H29N3O4S/c1-32-20-9-8-18(14-21(20)33-2)15-26(13-11-24(31)29-26)12-10-23(30)27-16-22-25(28-17-34-22)19-6-4-3-5-7-19/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,27,30)(H,29,31)/t26-/m0/s1
InChIKeyWPCRKCAIAMXINI-SANMLTNESA-N
MW479.60 g/mol
LogP4.12
Rot. Bonds10

About 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide

3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 42212057) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID42212057
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)NCc3scnc3-c3ccccc3)CCC(=O)N2)cc1OC
InChIInChI=1S/C26H29N3O4S/c1-32-20-9-8-18(14-21(20)33-2)15-26(13-11-24(31)29-26)12-10-23(30)27-16-22-25(28-17-34-22)19-6-4-3-5-7-19/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,27,30)(H,29,31)/t26-/m0/s1
InChIKeyWPCRKCAIAMXINI-SANMLTNESA-N
XLogP4.12
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 42212056
3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 45170362
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
N-[1-(1-adamantyl)-2-methylpropan-2-yl]-3-[2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45175104
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 42248412
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 42405365
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42449551
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide (CID 42212057) is 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide is COc1ccc(C[C@]2(CCC(=O)NCc3scnc3-c3ccccc3)CCC(=O)N2)cc1OC.
What is the InChIKey of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is WPCRKCAIAMXINI-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-32-20-9-8-18(14-21(20)33-2)15-26(13-11-24(31)29-26)12-10-23(30)27-16-22-25(28-17-34-22)19-6-4-3-5-7-19/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,27,30)(H,29,31)/t26-/m0/s1.
What are the key properties of 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 479.60 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 42212057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).