1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide

C22H26N4O4S — CID 53136005

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3cccc(OC)c3)c2)cc1
InChIInChI=1S/C22H26N4O4S/c1-4-26(5-2)31(28,29)20-11-9-18(10-12-20)25-15-21(24-16-25)22(27)23-14-17-7-6-8-19(13-17)30-3/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyDZCGLFCWUKKNJG-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.84
Rot. Bonds9

About 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide

1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide (PubChem CID 53136005) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
PubChem CID53136005
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3cccc(OC)c3)c2)cc1
InChIInChI=1S/C22H26N4O4S/c1-4-26(5-2)31(28,29)20-11-9-18(10-12-20)25-15-21(24-16-25)22(27)23-14-17-7-6-8-19(13-17)30-3/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyDZCGLFCWUKKNJG-UHFFFAOYSA-N
XLogP2.84
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 171132837
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-[(3-methoxyphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489924
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
N-[(3-methoxyphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178623
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide (CID 53136005) is 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3cccc(OC)c3)c2)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is DZCGLFCWUKKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-26(5-2)31(28,29)20-11-9-18(10-12-20)25-15-21(24-16-25)22(27)23-14-17-7-6-8-19(13-17)30-3/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,27).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53136005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).