2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide

C20H25N3O4S — CID 70326472

IUPAC2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cc(C)ns3)C2)ccc1C(C)O
InChIInChI=1S/C20H25N3O4S/c1-4-27-17-8-14(5-6-16(17)13(3)24)15-9-20(26)23(10-15)11-18(25)21-19-7-12(2)22-28-19/h5-8,13,15,24H,4,9-11H2,1-3H3,(H,21,25)/t13?,15-/m1/s1
InChIKeyGHPYEFAGSJDUBH-AWKYBWMHSA-N
MW403.50 g/mol
LogP2.86
Rot. Bonds7

About 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide

2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 70326472) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID70326472
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cc(C)ns3)C2)ccc1C(C)O
InChIInChI=1S/C20H25N3O4S/c1-4-27-17-8-14(5-6-16(17)13(3)24)15-9-20(26)23(10-15)11-18(25)21-19-7-12(2)22-28-19/h5-8,13,15,24H,4,9-11H2,1-3H3,(H,21,25)/t13?,15-/m1/s1
InChIKeyGHPYEFAGSJDUBH-AWKYBWMHSA-N
XLogP2.86
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70326411
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 73072430
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
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
2-[4-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-fluorophenyl)-N'-(3-methyl-1,2-thiazol-5-yl)butanediamide
CID 90881897
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-[(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-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
ethyl 2-[[2-[4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 87888680
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 70326472) is 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide is CCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cc(C)ns3)C2)ccc1C(C)O.
What is the InChIKey of 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is GHPYEFAGSJDUBH-AWKYBWMHSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-27-17-8-14(5-6-16(17)13(3)24)15-9-20(26)23(10-15)11-18(25)21-19-7-12(2)22-28-19/h5-8,13,15,24H,4,9-11H2,1-3H3,(H,21,25)/t13?,15-/m1/s1.
What are the key properties of 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 70326472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).