N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C17H18ClN3O2S — CID 125159195

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C17H18ClN3O2S/c1-10-15(24-11(2)19-10)8-16(22)20-13-7-17(23)21(9-13)14-5-3-12(18)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyPHRYDWJGPYYFJU-CYBMUJFWSA-N
MW363.87 g/mol
LogP2.88
Rot. Bonds4

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 125159195) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID125159195
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C17H18ClN3O2S/c1-10-15(24-11(2)19-10)8-16(22)20-13-7-17(23)21(9-13)14-5-3-12(18)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyPHRYDWJGPYYFJU-CYBMUJFWSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7563968
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
CID 126427638
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 125159195) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is PHRYDWJGPYYFJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10-15(24-11(2)19-10)8-16(22)20-13-7-17(23)21(9-13)14-5-3-12(18)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 363.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 125159195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).