N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H26N4O4S — CID 55976917

IUPACN-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCn2ccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H26N4O4S/c1-17-5-8-19(9-6-17)25-31(28,29)21-15-18(7-10-20(21)30-2)22(27)24-11-3-4-13-26-14-12-23-16-26/h5-10,12,14-16,25H,3-4,11,13H2,1-2H3,(H,24,27)
InChIKeyCGXUQDYWWMNQKQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.21
Rot. Bonds10

About N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55976917) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55976917
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCn2ccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H26N4O4S/c1-17-5-8-19(9-6-17)25-31(28,29)21-15-18(7-10-20(21)30-2)22(27)24-11-3-4-13-26-14-12-23-16-26/h5-10,12,14-16,25H,3-4,11,13H2,1-2H3,(H,24,27)
InChIKeyCGXUQDYWWMNQKQ-UHFFFAOYSA-N
XLogP3.21
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 55976917) is N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)NCCCCn2ccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is CGXUQDYWWMNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-17-5-8-19(9-6-17)25-31(28,29)21-15-18(7-10-20(21)30-2)22(27)24-11-3-4-13-26-14-12-23-16-26/h5-10,12,14-16,25H,3-4,11,13H2,1-2H3,(H,24,27).
What are the key properties of N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).