N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide

C25H26N4O3S — CID 25006056

IUPACN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1
InChIInChI=1S/C25H26N4O3S/c1-2-17-33(31,32)28-22-15-13-19(14-16-22)18-29-23(30)25(27-24(29)26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,28H,2,17-18H2,1H3,(H2,26,27)
InChIKeyZOZUOXQEXLBXQT-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.44
Rot. Bonds8

About N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide

N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide (PubChem CID 25006056) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
PubChem CID25006056
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1
InChIInChI=1S/C25H26N4O3S/c1-2-17-33(31,32)28-22-15-13-19(14-16-22)18-29-23(30)25(27-24(29)26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,28H,2,17-18H2,1H3,(H2,26,27)
InChIKeyZOZUOXQEXLBXQT-UHFFFAOYSA-N
XLogP3.44
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide (CID 25006056) is N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.
What is the InChIKey of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide?
The InChIKey is ZOZUOXQEXLBXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-2-17-33(31,32)28-22-15-13-19(14-16-22)18-29-23(30)25(27-24(29)26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,28H,2,17-18H2,1H3,(H2,26,27).
What are the key properties of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide?
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide has a molecular weight of 462.58 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 25006056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).