3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide

C22H29N5O4S — CID 26143583

IUPAC3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C22H29N5O4S/c1-4-19-6-7-20(31-19)15-25-18-12-17(13-21(14-18)32(29,30)26(2)3)22(28)24-8-5-10-27-11-9-23-16-27/h6-7,9,11-14,16,25H,4-5,8,10,15H2,1-3H3,(H,24,28)
InChIKeyAGDKJEJNRFWLOH-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.72
Rot. Bonds11

About 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide

3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 26143583) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID26143583
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC Name3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C22H29N5O4S/c1-4-19-6-7-20(31-19)15-25-18-12-17(13-21(14-18)32(29,30)26(2)3)22(28)24-8-5-10-27-11-9-23-16-27/h6-7,9,11-14,16,25H,4-5,8,10,15H2,1-3H3,(H,24,28)
InChIKeyAGDKJEJNRFWLOH-UHFFFAOYSA-N
XLogP2.72
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 91950519
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
CID 26144178
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 17065336
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide (CID 26143583) is 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide is CCc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)o1.
What is the InChIKey of 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is AGDKJEJNRFWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-4-19-6-7-20(31-19)15-25-18-12-17(13-21(14-18)32(29,30)26(2)3)22(28)24-8-5-10-27-11-9-23-16-27/h6-7,9,11-14,16,25H,4-5,8,10,15H2,1-3H3,(H,24,28).
What are the key properties of 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 459.57 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 26143583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).