2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

C20H26N4O4S — CID 11582475

IUPAC2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nc(C(C)C)ns3)C2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-5-28-16-8-13(6-7-15(16)27-4)14-9-18(26)24(10-14)11-17(25)21-20-22-19(12(2)3)23-29-20/h6-8,12,14H,5,9-11H2,1-4H3,(H,21,22,23,25)/t14-/m1/s1
InChIKeyJJCVAZKIUNRVAX-CQSZACIVSA-N
MW418.52 g/mol
LogP3.02
Rot. Bonds8

About 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 11582475) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID11582475
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nc(C(C)C)ns3)C2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-5-28-16-8-13(6-7-15(16)27-4)14-9-18(26)24(10-14)11-17(25)21-20-22-19(12(2)3)23-29-20/h6-8,12,14H,5,9-11H2,1-4H3,(H,21,22,23,25)/t14-/m1/s1
InChIKeyJJCVAZKIUNRVAX-CQSZACIVSA-N
XLogP3.02
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 76579707
2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 72983720
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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 73072430
2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 70326472
ethyl 2-[[2-[4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 87888680
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11190035
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87540515
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
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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide
CID 11684151
2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 10137168

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 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) is 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is CCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nc(C(C)C)ns3)C2)ccc1OC.
What is the InChIKey of 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is JJCVAZKIUNRVAX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-5-28-16-8-13(6-7-15(16)27-4)14-9-18(26)24(10-14)11-17(25)21-20-22-19(12(2)3)23-29-20/h6-8,12,14H,5,9-11H2,1-4H3,(H,21,22,23,25)/t14-/m1/s1.
What are the key properties of 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 11582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).