N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C24H23N5O5S — CID 1079334

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C24H23N5O5S/c1-15-14-16(2)26-24(25-15)28-35(33,34)18-11-9-17(10-12-18)27-21(30)8-5-13-29-22(31)19-6-3-4-7-20(19)23(29)32/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyGGQCOHHKPAZVPJ-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.91
Rot. Bonds8

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 1079334) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID1079334
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C24H23N5O5S/c1-15-14-16(2)26-24(25-15)28-35(33,34)18-11-9-17(10-12-18)27-21(30)8-5-13-29-22(31)19-6-3-4-7-20(19)23(29)32/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyGGQCOHHKPAZVPJ-UHFFFAOYSA-N
XLogP2.91
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 1079334) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is GGQCOHHKPAZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-15-14-16(2)26-24(25-15)28-35(33,34)18-11-9-17(10-12-18)27-21(30)8-5-13-29-22(31)19-6-3-4-7-20(19)23(29)32/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,27,30)(H,25,26,28).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 493.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 1079334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).