1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

C21H15NO3S — CID 110559129

IUPAC1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C21H15NO3S/c23-20-18(15-8-3-1-4-9-15)19(26-17-11-5-2-6-12-17)21(24)22(20)14-16-10-7-13-25-16/h1-13H,14H2
InChIKeyIASDKCNTFNMIOS-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.35
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110559129) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110559129
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C21H15NO3S/c23-20-18(15-8-3-1-4-9-15)19(26-17-11-5-2-6-12-17)21(24)22(20)14-16-10-7-13-25-16/h1-13H,14H2
InChIKeyIASDKCNTFNMIOS-UHFFFAOYSA-N
XLogP4.35
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572160
N-[4-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83279009
N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562432
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559098
1-ethyl-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572455
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110559442
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572017
3-(4-benzylpiperidin-1-yl)-1-(furan-2-ylmethyl)-4-phenylpyrrole-2,5-dione
CID 110559101
N-[4-[4-(4-bromoanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 91634659
3-(furan-2-ylmethylsulfanyl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559998
1-(furan-2-ylmethyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559128

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (CID 110559129) is 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is O=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is IASDKCNTFNMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-20-18(15-8-3-1-4-9-15)19(26-17-11-5-2-6-12-17)21(24)22(20)14-16-10-7-13-25-16/h1-13H,14H2.
What are the key properties of 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 361.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110559129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).