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

C21H25N3O4S — CID 76579707

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCCOc1cc(C2CC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2)ccc1OC
InChIInChI=1S/C21H25N3O4S/c1-3-28-18-8-14(6-7-17(18)27-2)15-9-20(26)24(10-15)11-19(25)23-21-22-16(12-29-21)13-4-5-13/h6-8,12-13,15H,3-5,9-11H2,1-2H3,(H,22,23,25)
InChIKeyLWLBAQNFTLRCGO-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.38
Rot. Bonds8

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 76579707) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
PubChem CID76579707
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCCOc1cc(C2CC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2)ccc1OC
InChIInChI=1S/C21H25N3O4S/c1-3-28-18-8-14(6-7-17(18)27-2)15-9-20(26)24(10-15)11-19(25)23-21-22-16(12-29-21)13-4-5-13/h6-8,12-13,15H,3-5,9-11H2,1-2H3,(H,22,23,25)
InChIKeyLWLBAQNFTLRCGO-UHFFFAOYSA-N
XLogP3.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 72983720
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 73072430
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-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
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-(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
N-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932
2,3-bis[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 91252372
2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 70326472
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87540515

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide (CID 76579707) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide is CCOc1cc(C2CC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2)ccc1OC.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is LWLBAQNFTLRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-28-18-8-14(6-7-17(18)27-2)15-9-20(26)24(10-15)11-19(25)23-21-22-16(12-29-21)13-4-5-13/h6-8,12-13,15H,3-5,9-11H2,1-2H3,(H,22,23,25).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 76579707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).