3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

C18H19N3O6S — CID 9203705

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O6S/c22-16(9-10-21-17(23)7-8-18(21)24)20-13-3-5-15(6-4-13)28(25,26)19-12-14-2-1-11-27-14/h1-6,11,19H,7-10,12H2,(H,20,22)
InChIKeyZFIKVGFWCQXWDQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.24
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (PubChem CID 9203705) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
PubChem CID9203705
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O6S/c22-16(9-10-21-17(23)7-8-18(21)24)20-13-3-5-15(6-4-13)28(25,26)19-12-14-2-1-11-27-14/h1-6,11,19H,7-10,12H2,(H,20,22)
InChIKeyZFIKVGFWCQXWDQ-UHFFFAOYSA-N
XLogP1.24
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9203653
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2483251
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 4882145
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (CID 9203705) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The InChIKey is ZFIKVGFWCQXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c22-16(9-10-21-17(23)7-8-18(21)24)20-13-3-5-15(6-4-13)28(25,26)19-12-14-2-1-11-27-14/h1-6,11,19H,7-10,12H2,(H,20,22).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide has a molecular weight of 405.43 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9203705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).