N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C21H24N4O4S2 — CID 30035073

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(SC)n2-c2ccccc2)c1
InChIInChI=1S/C21H24N4O4S2/c1-4-24(5-2)31(28,29)16-11-12-19(26)17(13-16)23-20(27)18-14-22-21(30-3)25(18)15-9-7-6-8-10-15/h6-14,26H,4-5H2,1-3H3,(H,23,27)
InChIKeyFMXGKBJRRORBDK-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.58
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 30035073) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID30035073
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(SC)n2-c2ccccc2)c1
InChIInChI=1S/C21H24N4O4S2/c1-4-24(5-2)31(28,29)16-11-12-19(26)17(13-16)23-20(27)18-14-22-21(30-3)25(18)15-9-7-6-8-10-15/h6-14,26H,4-5H2,1-3H3,(H,23,27)
InChIKeyFMXGKBJRRORBDK-UHFFFAOYSA-N
XLogP3.58
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035066
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55531902
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 29110340
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25470960
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 30035073) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(SC)n2-c2ccccc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is FMXGKBJRRORBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-4-24(5-2)31(28,29)16-11-12-19(26)17(13-16)23-20(27)18-14-22-21(30-3)25(18)15-9-7-6-8-10-15/h6-14,26H,4-5H2,1-3H3,(H,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 30035073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).