N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide

C15H20N4O3S — CID 110446281

IUPACN-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4O3S/c1-13(20)18-14-5-4-6-15(11-14)23(21,22)17-7-2-3-9-19-10-8-16-12-19/h4-6,8,10-12,17H,2-3,7,9H2,1H3,(H,18,20)
InChIKeyHLPLENLOOQJBAT-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.60
Rot. Bonds8

About N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide

N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide (PubChem CID 110446281) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
PubChem CID110446281
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4O3S/c1-13(20)18-14-5-4-6-15(11-14)23(21,22)17-7-2-3-9-19-10-8-16-12-19/h4-6,8,10-12,17H,2-3,7,9H2,1H3,(H,18,20)
InChIKeyHLPLENLOOQJBAT-UHFFFAOYSA-N
XLogP1.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.60
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

N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
CID 6491904
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide (CID 110446281) is N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)NCCCCn2ccnc2)c1.
What is the InChIKey of N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide?
The InChIKey is HLPLENLOOQJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-13(20)18-14-5-4-6-15(11-14)23(21,22)17-7-2-3-9-19-10-8-16-12-19/h4-6,8,10-12,17H,2-3,7,9H2,1H3,(H,18,20).
What are the key properties of N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide?
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 110446281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).