N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C18H25N3O5S — CID 48583777

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)20-27(25,26)14-7-5-4-6-13(14)12-19-15(22)10-11-21-16(23)8-9-17(21)24/h4-7,20H,8-12H2,1-3H3,(H,19,22)
InChIKeyDHLLGBFQYATLGJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.92
Rot. Bonds7

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 48583777) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID48583777
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)20-27(25,26)14-7-5-4-6-13(14)12-19-15(22)10-11-21-16(23)8-9-17(21)24/h4-7,20H,8-12H2,1-3H3,(H,19,22)
InChIKeyDHLLGBFQYATLGJ-UHFFFAOYSA-N
XLogP0.92
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 48583634
2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
CID 60616288
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119751222
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961234
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
N-(2,6-diethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089552
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 134028900
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153838

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 48583777) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is DHLLGBFQYATLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-18(2,3)20-27(25,26)14-7-5-4-6-13(14)12-19-15(22)10-11-21-16(23)8-9-17(21)24/h4-7,20H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 48583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).