2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide

C26H25N3O5S — CID 55331928

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide
SMILESCC(C)C(C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H25N3O5S/c1-17(2)23(29-25(31)21-14-7-8-15-22(21)26(29)32)24(30)27-18-10-9-13-20(16-18)35(33,34)28(3)19-11-5-4-6-12-19/h4-17,23H,1-3H3,(H,27,30)
InChIKeyIEDQMQZUBOPGEB-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.77
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide (PubChem CID 55331928) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide
PubChem CID55331928
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide
SMILESCC(C)C(C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H25N3O5S/c1-17(2)23(29-25(31)21-14-7-8-15-22(21)26(29)32)24(30)27-18-10-9-13-20(16-18)35(33,34)28(3)19-11-5-4-6-12-19/h4-17,23H,1-3H3,(H,27,30)
InChIKeyIEDQMQZUBOPGEB-UHFFFAOYSA-N
XLogP3.77
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.77
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

2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978515
4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
N-(3-acetamido-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55784633
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 3340600
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide (CID 55331928) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide is CC(C)C(C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is IEDQMQZUBOPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-17(2)23(29-25(31)21-14-7-8-15-22(21)26(29)32)24(30)27-18-10-9-13-20(16-18)35(33,34)28(3)19-11-5-4-6-12-19/h4-17,23H,1-3H3,(H,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 491.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 55331928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).