2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide

C26H33N5O4S2 — CID 10370151

IUPAC2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide
SMILESCCCCc1nc(SC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1
InChIInChI=1S/C26H33N5O4S2/c1-4-6-11-22-29-25(36-3)23(24(27)32)31(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)30-26(33)28-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,27,32)(H2,28,30,33)
InChIKeyCGZGXKCZWGEHAR-UHFFFAOYSA-N
MW543.72 g/mol
LogP4.16
Rot. Bonds12

About 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide

2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide (PubChem CID 10370151) has the molecular formula C26H33N5O4S2 and a molecular weight of 543.72 g/mol. Its IUPAC name is 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide
PubChem CID10370151
Molecular FormulaC26H33N5O4S2
Molecular Weight543.72 g/mol
Exact Mass543.20
IUPAC Name2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide
SMILESCCCCc1nc(SC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1
InChIInChI=1S/C26H33N5O4S2/c1-4-6-11-22-29-25(36-3)23(24(27)32)31(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)30-26(33)28-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,27,32)(H2,28,30,33)
InChIKeyCGZGXKCZWGEHAR-UHFFFAOYSA-N
XLogP4.16
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.72
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide (CID 10370151) is 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide is CCCCc1nc(SC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1.
What is the InChIKey of 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is CGZGXKCZWGEHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S2/c1-4-6-11-22-29-25(36-3)23(24(27)32)31(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)30-26(33)28-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,27,32)(H2,28,30,33).
What are the key properties of 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 543.72 g/mol, XLogP of 4.16, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 10370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).