2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C24H29N3O4S — CID 42325094

IUPAC2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc([C@]2(CC(=O)N[C@H](C)c3nc(C)cs3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-15-14-32-22(25-15)16(2)26-20(28)12-24(17-8-10-19(31-3)11-9-17)13-21(29)27(23(24)30)18-6-4-5-7-18/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,26,28)/t16-,24+/m1/s1
InChIKeyMOLQKNDVIVJNQV-GYCJOSAFSA-N
MW455.58 g/mol
LogP3.67
Rot. Bonds7

About 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 42325094) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID42325094
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc([C@]2(CC(=O)N[C@H](C)c3nc(C)cs3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-15-14-32-22(25-15)16(2)26-20(28)12-24(17-8-10-19(31-3)11-9-17)13-21(29)27(23(24)30)18-6-4-5-7-18/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,26,28)/t16-,24+/m1/s1
InChIKeyMOLQKNDVIVJNQV-GYCJOSAFSA-N
XLogP3.67
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118759644
2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42433957
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26351202
1-cyclopropyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45188003
(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42455217
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464410
2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 42438393
2-[1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 45188217
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45231454
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42274613

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 42325094) is 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is COc1ccc([C@]2(CC(=O)N[C@H](C)c3nc(C)cs3)CC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is MOLQKNDVIVJNQV-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-15-14-32-22(25-15)16(2)26-20(28)12-24(17-8-10-19(31-3)11-9-17)13-21(29)27(23(24)30)18-6-4-5-7-18/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,26,28)/t16-,24+/m1/s1.
What are the key properties of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 42325094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).