N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide

C20H18N2O4S — CID 8712800

IUPACN-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13(23)14-7-9-15(10-8-14)21-18(24)12-27-17-11-19(25)22(20(17)26)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyGXEPPTGSJUBXHI-KRWDZBQOSA-N
MW382.44 g/mol
LogP2.89
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide (PubChem CID 8712800) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
PubChem CID8712800
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13(23)14-7-9-15(10-8-14)21-18(24)12-27-17-11-19(25)22(20(17)26)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyGXEPPTGSJUBXHI-KRWDZBQOSA-N
XLogP2.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
N-(4-bromophenyl)-2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 1070809
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819
N-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7366811
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7372003
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 1243830
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
CID 27136917
N-(2-chlorophenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 7393004
ethyl 4-[(3R)-3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 6975639
N-(4-bromophenyl)-2-[(3S)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1375777

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide (CID 8712800) is N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide is CC(=O)c1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is GXEPPTGSJUBXHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13(23)14-7-9-15(10-8-14)21-18(24)12-27-17-11-19(25)22(20(17)26)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 382.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 8712800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).