5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide

C19H27N3O5S — CID 56558667

IUPAC5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H27N3O5S/c1-13-6-7-14(28(26,27)21-19(2,3)4)12-15(13)18(25)20-10-5-11-22-16(23)8-9-17(22)24/h6-7,12,21H,5,8-11H2,1-4H3,(H,20,25)
InChIKeyKZJKOKZTQNNUQI-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.34
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide (PubChem CID 56558667) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
PubChem CID56558667
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H27N3O5S/c1-13-6-7-14(28(26,27)21-19(2,3)4)12-15(13)18(25)20-10-5-11-22-16(23)8-9-17(22)24/h6-7,12,21H,5,8-11H2,1-4H3,(H,20,25)
InChIKeyKZJKOKZTQNNUQI-UHFFFAOYSA-N
XLogP1.34
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 51155817
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
ethyl 4-[5-(tert-butylsulfamoyl)-2-methylbenzoyl]piperazine-1-carboxylate
CID 35508539

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide (CID 56558667) is 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCN1C(=O)CCC1=O.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide?
The InChIKey is KZJKOKZTQNNUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-13-6-7-14(28(26,27)21-19(2,3)4)12-15(13)18(25)20-10-5-11-22-16(23)8-9-17(22)24/h6-7,12,21H,5,8-11H2,1-4H3,(H,20,25).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 56558667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).