N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C24H30N4O4S — CID 55736021

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C24H30N4O4S/c1-6-28(7-2)33(30,31)21-14-17(3)18(4)22(15-21)26-24(29)19-8-10-20(11-9-19)32-16-23-25-12-13-27(23)5/h8-15H,6-7,16H2,1-5H3,(H,26,29)
InChIKeyVERJAKRKZQQVMU-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.90
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55736021) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55736021
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C24H30N4O4S/c1-6-28(7-2)33(30,31)21-14-17(3)18(4)22(15-21)26-24(29)19-8-10-20(11-9-19)32-16-23-25-12-13-27(23)5/h8-15H,6-7,16H2,1-5H3,(H,26,29)
InChIKeyVERJAKRKZQQVMU-UHFFFAOYSA-N
XLogP3.90
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55920467
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56568506
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55736021) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is VERJAKRKZQQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-6-28(7-2)33(30,31)21-14-17(3)18(4)22(15-21)26-24(29)19-8-10-20(11-9-19)32-16-23-25-12-13-27(23)5/h8-15H,6-7,16H2,1-5H3,(H,26,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 470.60 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55736021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).