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

C27H27N3O3S — CID 42274613

IUPAC2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@H](c1nccs1)N(C)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C27H27N3O3S/c1-18(25-28-14-15-34-25)29(2)23(31)16-27(17-24(32)30(26(27)33)22-12-13-22)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,14-15,18,22H,12-13,16-17H2,1-2H3/t18-,27+/m1/s1
InChIKeyKSYIFCXDYZJYNL-CLYVBNDRSA-N
MW473.60 g/mol
LogP4.58
Rot. Bonds7

About 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

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 (PubChem CID 42274613) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID42274613
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@H](c1nccs1)N(C)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C27H27N3O3S/c1-18(25-28-14-15-34-25)29(2)23(31)16-27(17-24(32)30(26(27)33)22-12-13-22)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,14-15,18,22H,12-13,16-17H2,1-2H3/t18-,27+/m1/s1
InChIKeyKSYIFCXDYZJYNL-CLYVBNDRSA-N
XLogP4.58
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N,N-diethylacetamide
CID 42346664
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42343610
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42343612
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
CID 125163774
1-cyclopropyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 45250074
N-methyl-2-[(3S)-3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42166097
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26351202
2-[(3S)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 42342647
2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 26354778
N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
CID 26278956
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](c1nccs1)N(C)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 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?
The InChIKey is KSYIFCXDYZJYNL-CLYVBNDRSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-18(25-28-14-15-34-25)29(2)23(31)16-27(17-24(32)30(26(27)33)22-12-13-22)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,14-15,18,22H,12-13,16-17H2,1-2H3/t18-,27+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 473.60 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42274613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).