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

C22H20ClN3O3S — CID 24600255

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cs2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-29-17-7-4-14(5-8-17)22-25-16(13-30-22)12-20(27)24-15-6-9-19(18(23)11-15)26-10-2-3-21(26)28/h4-9,11,13H,2-3,10,12H2,1H3,(H,24,27)
InChIKeyDKDSWDJOYQQGSR-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.78
Rot. Bonds6

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

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24600255) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID24600255
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cs2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-29-17-7-4-14(5-8-17)22-25-16(13-30-22)12-20(27)24-15-6-9-19(18(23)11-15)26-10-2-3-21(26)28/h4-9,11,13H,2-3,10,12H2,1H3,(H,24,27)
InChIKeyDKDSWDJOYQQGSR-UHFFFAOYSA-N
XLogP4.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 17468761
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24600293
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 24600255) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cs2)cc1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DKDSWDJOYQQGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-29-17-7-4-14(5-8-17)22-25-16(13-30-22)12-20(27)24-15-6-9-19(18(23)11-15)26-10-2-3-21(26)28/h4-9,11,13H,2-3,10,12H2,1H3,(H,24,27).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 441.94 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24600255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).