2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

C21H17N3O6S — CID 24639699

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H17N3O6S/c25-19(13-24-20(26)17-8-1-2-9-18(17)21(24)27)23-14-5-3-7-16(11-14)31(28,29)22-12-15-6-4-10-30-15/h1-11,22H,12-13H2,(H,23,25)
InChIKeyITGDPAKWQBFEIU-UHFFFAOYSA-N
MW439.45 g/mol
LogP1.99
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 24639699) has the molecular formula C21H17N3O6S and a molecular weight of 439.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID24639699
Molecular FormulaC21H17N3O6S
Molecular Weight439.45 g/mol
Exact Mass439.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H17N3O6S/c25-19(13-24-20(26)17-8-1-2-9-18(17)21(24)27)23-14-5-3-7-16(11-14)31(28,29)22-12-15-6-4-10-30-15/h1-11,22H,12-13H2,(H,23,25)
InChIKeyITGDPAKWQBFEIU-UHFFFAOYSA-N
XLogP1.99
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.99
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

2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 55402300
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24639734
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 24639699) is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is ITGDPAKWQBFEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O6S/c25-19(13-24-20(26)17-8-1-2-9-18(17)21(24)27)23-14-5-3-7-16(11-14)31(28,29)22-12-15-6-4-10-30-15/h1-11,22H,12-13H2,(H,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 439.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).