N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide

C20H18N2O3S — CID 38021204

IUPACN-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC2=CC(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-3-7-15(8-4-13)21-18(23)12-26-17-11-19(24)22(20(17)25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyFUAAAMFSVWOXGF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.43
Rot. Bonds5

About N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide

N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide (PubChem CID 38021204) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide
PubChem CID38021204
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC2=CC(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-3-7-15(8-4-13)21-18(23)12-26-17-11-19(24)22(20(17)25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyFUAAAMFSVWOXGF-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.43
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-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
2-[[5-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 21371072
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-(4-bromophenyl)sulfanyl-N-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]acetamide
CID 3651935
N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide
CID 11133475
N-(4-bromophenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956713
N-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31780140
N-(4-acetylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3140956
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide (CID 38021204) is N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSC2=CC(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide?
The InChIKey is FUAAAMFSVWOXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-3-7-15(8-4-13)21-18(23)12-26-17-11-19(24)22(20(17)25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide?
N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide has a molecular weight of 366.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylacetamide is sourced from PubChem (CID 38021204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).