2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H23N3O4S — CID 72983720

IUPAC2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)Nc3nccs3)C2)cc1OCC1CC1
InChIInChI=1S/C20H23N3O4S/c1-26-16-5-4-14(8-17(16)27-12-13-2-3-13)15-9-19(25)23(10-15)11-18(24)22-20-21-6-7-28-20/h4-8,13,15H,2-3,9-12H2,1H3,(H,21,22,24)
InChIKeyNWGZSWMEBWMOPK-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.90
Rot. Bonds8

About 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 72983720) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID72983720
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)Nc3nccs3)C2)cc1OCC1CC1
InChIInChI=1S/C20H23N3O4S/c1-26-16-5-4-14(8-17(16)27-12-13-2-3-13)15-9-19(25)23(10-15)11-18(24)22-20-21-6-7-28-20/h4-8,13,15H,2-3,9-12H2,1H3,(H,21,22,24)
InChIKeyNWGZSWMEBWMOPK-UHFFFAOYSA-N
XLogP2.90
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(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-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 68684485
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-[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-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932
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
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-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87540515
N-[2-(benzenesulfonyl)thiophen-3-yl]-2-[4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 69052924
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-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 72983720) is 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(C2CC(=O)N(CC(=O)Nc3nccs3)C2)cc1OCC1CC1.
What is the InChIKey of 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NWGZSWMEBWMOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-26-16-5-4-14(8-17(16)27-12-13-2-3-13)15-9-19(25)23(10-15)11-18(24)22-20-21-6-7-28-20/h4-8,13,15H,2-3,9-12H2,1H3,(H,21,22,24).
What are the key properties of 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 72983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).