4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide

C26H25N3O6S2 — CID 167474264

IUPAC4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)n2cnc(-c3ccc(OCc4ccc(S(C)(=O)=O)cc4)cc3)c2)cc1
InChIInChI=1S/C26H25N3O6S2/c1-36(31,32)23-11-3-19(4-12-23)15-27-26(30)29-16-25(28-18-29)21-7-9-22(10-8-21)35-17-20-5-13-24(14-6-20)37(2,33)34/h3-14,16,18H,15,17H2,1-2H3,(H,27,30)
InChIKeyLSAVJMGNHHNNNS-UHFFFAOYSA-N
MW539.64 g/mol
LogP3.69
Rot. Bonds8

About 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide

4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide (PubChem CID 167474264) has the molecular formula C26H25N3O6S2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide
PubChem CID167474264
Molecular FormulaC26H25N3O6S2
Molecular Weight539.64 g/mol
Exact Mass539.12
IUPAC Name4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)n2cnc(-c3ccc(OCc4ccc(S(C)(=O)=O)cc4)cc3)c2)cc1
InChIInChI=1S/C26H25N3O6S2/c1-36(31,32)23-11-3-19(4-12-23)15-27-26(30)29-16-25(28-18-29)21-7-9-22(10-8-21)35-17-20-5-13-24(14-6-20)37(2,33)34/h3-14,16,18H,15,17H2,1-2H3,(H,27,30)
InChIKeyLSAVJMGNHHNNNS-UHFFFAOYSA-N
XLogP3.69
TPSA124.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide?
The IUPAC name of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide (CID 167474264) is 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide?
The canonical SMILES for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)n2cnc(-c3ccc(OCc4ccc(S(C)(=O)=O)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide?
The InChIKey is LSAVJMGNHHNNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6S2/c1-36(31,32)23-11-3-19(4-12-23)15-27-26(30)29-16-25(28-18-29)21-7-9-22(10-8-21)35-17-20-5-13-24(14-6-20)37(2,33)34/h3-14,16,18H,15,17H2,1-2H3,(H,27,30).
What are the key properties of 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide?
4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 167474264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).