N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C24H20N2O4S — CID 110562432

IUPACN-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(SCc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c1-16(27)25-19-11-9-18(10-12-19)21-22(31-15-17-6-3-2-4-7-17)24(29)26(23(21)28)14-20-8-5-13-30-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyRPQGIRSFHKCILN-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.45
Rot. Bonds7

About N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110562432) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110562432
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(SCc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c1-16(27)25-19-11-9-18(10-12-19)21-22(31-15-17-6-3-2-4-7-17)24(29)26(23(21)28)14-20-8-5-13-30-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyRPQGIRSFHKCILN-UHFFFAOYSA-N
XLogP4.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.45
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

N-[4-[4-benzylsulfanyl-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562755
N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562422
N-[4-[4-(furan-2-ylmethylsulfanyl)-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563585
N-[4-[1-(2,3-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563432
N-[4-[1-cycloheptyl-4-(furan-2-ylmethylsulfanyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562838
3-benzylsulfanyl-4-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110578268
N-[4-[4-benzylsulfanyl-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563586
1-(furan-2-ylmethyl)-3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572160
N-[4-[4-benzylsulfanyl-1-(4-cyanophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563673
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553
N-[4-[1-(furan-2-ylmethyl)-4-(3-methoxyanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596279
1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110559129

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110562432) is N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(SCc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is RPQGIRSFHKCILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-16(27)25-19-11-9-18(10-12-19)21-22(31-15-17-6-3-2-4-7-17)24(29)26(23(21)28)14-20-8-5-13-30-20/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).