N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C24H29N3O5S — CID 3347715

IUPACN-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-5-15-26(16-6-4-2)33(31,32)19-13-11-18(12-14-19)25-22(28)17-27-23(29)20-9-7-8-10-21(20)24(27)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,28)
InChIKeyUUKXGNBCAKWNOL-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.51
Rot. Bonds11

About N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 3347715) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID3347715
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-5-15-26(16-6-4-2)33(31,32)19-13-11-18(12-14-19)25-22(28)17-27-23(29)20-9-7-8-10-21(20)24(27)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,28)
InChIKeyUUKXGNBCAKWNOL-UHFFFAOYSA-N
XLogP3.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.51
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-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
(4,6-dimethylpyrimidin-2-yl)-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]sulfonylazanide
CID 4067833
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445

Frequently Asked Questions

What is the IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 3347715) is N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is UUKXGNBCAKWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-3-5-15-26(16-6-4-2)33(31,32)19-13-11-18(12-14-19)25-22(28)17-27-23(29)20-9-7-8-10-21(20)24(27)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 3347715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).