2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C23H24N6O5S — CID 11785249

IUPAC2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4cnccn4)s3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24N6O5S/c1-32-18-3-2-14(8-19(18)34-16-4-7-33-13-16)15-9-21(31)29(11-15)12-20(30)26-23-28-27-22(35-23)17-10-24-5-6-25-17/h2-3,5-6,8,10,15-16H,4,7,9,11-13H2,1H3,(H,26,28,30)/t15-,16-/m1/s1
InChIKeyARYWPXUOHYUOJC-HZPDHXFCSA-N
MW496.55 g/mol
LogP2.13
Rot. Bonds8

About 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 11785249) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID11785249
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4cnccn4)s3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24N6O5S/c1-32-18-3-2-14(8-19(18)34-16-4-7-33-13-16)15-9-21(31)29(11-15)12-20(30)26-23-28-27-22(35-23)17-10-24-5-6-25-17/h2-3,5-6,8,10,15-16H,4,7,9,11-13H2,1H3,(H,26,28,30)/t15-,16-/m1/s1
InChIKeyARYWPXUOHYUOJC-HZPDHXFCSA-N
XLogP2.13
TPSA128.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 11785249) is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4cnccn4)s3)C2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ARYWPXUOHYUOJC-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H24N6O5S/c1-32-18-3-2-14(8-19(18)34-16-4-7-33-13-16)15-9-21(31)29(11-15)12-20(30)26-23-28-27-22(35-23)17-10-24-5-6-25-17/h2-3,5-6,8,10,15-16H,4,7,9,11-13H2,1H3,(H,26,28,30)/t15-,16-/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 496.55 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 11785249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).