2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C22H25ClN2O4S — CID 26283222

IUPAC2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C22H25ClN2O4S/c1-24(15-16-7-5-12-30-16)19(26)13-22(17-8-3-4-9-18(17)23)14-20(27)25(21(22)28)10-6-11-29-2/h3-5,7-9,12H,6,10-11,13-15H2,1-2H3/t22-/m1/s1
InChIKeyYVLMNUKAPYQXDU-JOCHJYFZSA-N
MW448.97 g/mol
LogP3.48
Rot. Bonds9

About 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 26283222) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID26283222
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC Name2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C22H25ClN2O4S/c1-24(15-16-7-5-12-30-16)19(26)13-22(17-8-3-4-9-18(17)23)14-20(27)25(21(22)28)10-6-11-29-2/h3-5,7-9,12H,6,10-11,13-15H2,1-2H3/t22-/m1/s1
InChIKeyYVLMNUKAPYQXDU-JOCHJYFZSA-N
XLogP3.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 45184895
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 45227178
2-[(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42456455
2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 125157100
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]acetamide
CID 74498065
2-[(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42368102
2-[1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 126463475
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]acetamide
CID 42421214
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45196529
(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 25365284
N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45171587

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 26283222) is 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YVLMNUKAPYQXDU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c1-24(15-16-7-5-12-30-16)19(26)13-22(17-8-3-4-9-18(17)23)14-20(27)25(21(22)28)10-6-11-29-2/h3-5,7-9,12H,6,10-11,13-15H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 448.97 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 26283222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).