4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide

C24H21N3O7S — CID 108782846

IUPAC4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)c1C(N)=O
InChIInChI=1S/C24H21N3O7S/c1-13(28)19-14(2)34-22(20(19)21(25)29)26-35(32,33)16-9-7-15(8-10-16)11-12-27-23(30)17-5-3-4-6-18(17)24(27)31/h3-10,26H,11-12H2,1-2H3,(H2,25,29)
InChIKeyWORFMDXLVAWKDN-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.53
Rot. Bonds8

About 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide

4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide (PubChem CID 108782846) has the molecular formula C24H21N3O7S and a molecular weight of 495.51 g/mol. Its IUPAC name is 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
PubChem CID108782846
Molecular FormulaC24H21N3O7S
Molecular Weight495.51 g/mol
Exact Mass495.11
IUPAC Name4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)c1C(N)=O
InChIInChI=1S/C24H21N3O7S/c1-13(28)19-14(2)34-22(20(19)21(25)29)26-35(32,33)16-9-7-15(8-10-16)11-12-27-23(30)17-5-3-4-6-18(17)24(27)31/h3-10,26H,11-12H2,1-2H3,(H2,25,29)
InChIKeyWORFMDXLVAWKDN-UHFFFAOYSA-N
XLogP2.53
TPSA156.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
CID 108782851
methyl 4-cyano-5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781667
4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782861
ethyl 5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-1-methylpyrazole-4-carboxylate
CID 108782504
4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
CID 155294818
2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
CID 110632884
N-(3,4-dimethylphenyl)-4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]benzenesulfonamide
CID 20914188
4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-(4-ethylphenyl)benzenesulfonamide
CID 20914164
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
N-(4-chloro-2-methylphenyl)-4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]benzenesulfonamide
CID 20914152
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide (CID 108782846) is 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide is CC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide?
The InChIKey is WORFMDXLVAWKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O7S/c1-13(28)19-14(2)34-22(20(19)21(25)29)26-35(32,33)16-9-7-15(8-10-16)11-12-27-23(30)17-5-3-4-6-18(17)24(27)31/h3-10,26H,11-12H2,1-2H3,(H2,25,29).
What are the key properties of 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108782846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).