N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

C26H23ClN2O3S — CID 4687157

IUPACN-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30)
InChIKeyIHENIVMXTWMAPE-UHFFFAOYSA-N
MW479.00 g/mol
LogP4.97
Rot. Bonds8

About N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (PubChem CID 4687157) has the molecular formula C26H23ClN2O3S and a molecular weight of 479.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
PubChem CID4687157
Molecular FormulaC26H23ClN2O3S
Molecular Weight479.00 g/mol
Exact Mass478.11
IUPAC NameN-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30)
InChIKeyIHENIVMXTWMAPE-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 54.97
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

2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 709521
N-(4-chlorophenyl)-2-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2958653
2-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 1300027
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 3967367
N-(4-bromophenyl)-2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 1070809
N-(4-chlorophenyl)-2-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1109118
N-(4-bromophenyl)-2-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2853313
N-(4-bromophenyl)-2-[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1369630
N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 8712800
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 1243830
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (CID 4687157) is N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is O=C(CSC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is IHENIVMXTWMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 479.00 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 4687157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).