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

C20H24N4O6S — CID 11561428

IUPAC2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
SMILESCOc1nsc(NC(=O)CN2C[C@H](c3ccc(OC)c(O[C@@H]4CCOC4)c3)CC2=O)n1
InChIInChI=1S/C20H24N4O6S/c1-27-15-4-3-12(7-16(15)30-14-5-6-29-11-14)13-8-18(26)24(9-13)10-17(25)21-20-22-19(28-2)23-31-20/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,21,22,23,25)/t13-,14-/m1/s1
InChIKeyKXZPQJNODTUMPU-ZIAGYGMSSA-N
MW448.50 g/mol
LogP1.68
Rot. Bonds8

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

2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 11561428) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID11561428
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
SMILESCOc1nsc(NC(=O)CN2C[C@H](c3ccc(OC)c(O[C@@H]4CCOC4)c3)CC2=O)n1
InChIInChI=1S/C20H24N4O6S/c1-27-15-4-3-12(7-16(15)30-14-5-6-29-11-14)13-8-18(26)24(9-13)10-17(25)21-20-22-19(28-2)23-31-20/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,21,22,23,25)/t13-,14-/m1/s1
InChIKeyKXZPQJNODTUMPU-ZIAGYGMSSA-N
XLogP1.68
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide (CID 11561428) is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide is COc1nsc(NC(=O)CN2C[C@H](c3ccc(OC)c(O[C@@H]4CCOC4)c3)CC2=O)n1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is KXZPQJNODTUMPU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-27-15-4-3-12(7-16(15)30-14-5-6-29-11-14)13-8-18(26)24(9-13)10-17(25)21-20-22-19(28-2)23-31-20/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,21,22,23,25)/t13-,14-/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide?
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 448.50 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 11561428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).