2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide

C24H27N3O4S — CID 70950341

IUPAC2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide
SMILESCOc1ccc([C@H]2CC(=O)N(CC(=O)NC3CC(C)=NS3)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-16-10-23(32-26-16)25-22(28)14-27-13-19(12-24(27)29)18-8-9-20(30-2)21(11-18)31-15-17-6-4-3-5-7-17/h3-9,11,19,23H,10,12-15H2,1-2H3,(H,25,28)/t19-,23?/m0/s1
InChIKeyHVRZSYPCBMLDIK-HSTJUUNISA-N
MW453.56 g/mol
LogP3.55
Rot. Bonds8

About 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide

2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide (PubChem CID 70950341) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide
PubChem CID70950341
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide
SMILESCOc1ccc([C@H]2CC(=O)N(CC(=O)NC3CC(C)=NS3)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-16-10-23(32-26-16)25-22(28)14-27-13-19(12-24(27)29)18-8-9-20(30-2)21(11-18)31-15-17-6-4-3-5-7-17/h3-9,11,19,23H,10,12-15H2,1-2H3,(H,25,28)/t19-,23?/m0/s1
InChIKeyHVRZSYPCBMLDIK-HSTJUUNISA-N
XLogP3.55
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 72983720
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 76579707
2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 11582475
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
CID 69370077
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42451405
2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 10137168
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 68685351
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide (CID 70950341) is 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide is COc1ccc([C@H]2CC(=O)N(CC(=O)NC3CC(C)=NS3)C2)cc1OCc1ccccc1.
What is the InChIKey of 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide?
The InChIKey is HVRZSYPCBMLDIK-HSTJUUNISA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-16-10-23(32-26-16)25-22(28)14-27-13-19(12-24(27)29)18-8-9-20(30-2)21(11-18)31-15-17-6-4-3-5-7-17/h3-9,11,19,23H,10,12-15H2,1-2H3,(H,25,28)/t19-,23?/m0/s1.
What are the key properties of 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide?
2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide has a molecular weight of 453.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 70950341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).