2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide

C23H26N2O3S — CID 2234440

IUPAC2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N2O3S/c1-5-17-8-6-7-15(3)22(17)24-20(26)13-29-19-12-21(27)25(23(19)28)18-10-9-14(2)16(4)11-18/h6-11,19H,5,12-13H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyMUEOSZYVWMCSHI-IBGZPJMESA-N
MW410.54 g/mol
LogP4.18
Rot. Bonds6

About 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide

2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 2234440) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID2234440
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N2O3S/c1-5-17-8-6-7-15(3)22(17)24-20(26)13-29-19-12-21(27)25(23(19)28)18-10-9-14(2)16(4)11-18/h6-11,19H,5,12-13H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyMUEOSZYVWMCSHI-IBGZPJMESA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1243902
N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1243844
2-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 2237156
N-(3,4-dimethylphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2964679
(2S)-2-acetamido-3-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 27404742
N-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
2-[4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 99129990
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
ethyl 4-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 18865204
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 709521
N-(4-bromophenyl)-2-[(3S)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1375777
methyl 4-[(3S)-3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1109149

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide (CID 2234440) is 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is MUEOSZYVWMCSHI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-5-17-8-6-7-15(3)22(17)24-20(26)13-29-19-12-21(27)25(23(19)28)18-10-9-14(2)16(4)11-18/h6-11,19H,5,12-13H2,1-4H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 2234440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).