5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide

C18H26N4O3S — CID 51155817

IUPAC5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C18H26N4O3S/c1-14-6-7-15(26(24,25)21-18(2,3)4)12-16(14)17(23)20-8-5-10-22-11-9-19-13-22/h6-7,9,11-13,21H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyXTDGONCRSWYYEX-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.09
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide (PubChem CID 51155817) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
PubChem CID51155817
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C18H26N4O3S/c1-14-6-7-15(26(24,25)21-18(2,3)4)12-16(14)17(23)20-8-5-10-22-11-9-19-13-22/h6-7,9,11-13,21H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyXTDGONCRSWYYEX-UHFFFAOYSA-N
XLogP2.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
CID 56558667
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
3-tert-butyl-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 87023626
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide (CID 51155817) is 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The InChIKey is XTDGONCRSWYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-6-7-15(26(24,25)21-18(2,3)4)12-16(14)17(23)20-8-5-10-22-11-9-19-13-22/h6-7,9,11-13,21H,5,8,10H2,1-4H3,(H,20,23).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide has a molecular weight of 378.50 g/mol, XLogP of 2.09, 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-imidazol-1-ylpropyl)-2-methylbenzamide is sourced from PubChem (CID 51155817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).