N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C22H25FN4O4S — CID 46528303

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C22H25FN4O4S/c1-14(2)26-32(29,30)19-13-16(8-9-18(19)31-4)22(28)25-20(21-24-10-11-27(21)3)15-6-5-7-17(23)12-15/h5-14,20,26H,1-4H3,(H,25,28)
InChIKeyMIOIILUFSOUSLU-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.77
Rot. Bonds8

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46528303) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46528303
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C22H25FN4O4S/c1-14(2)26-32(29,30)19-13-16(8-9-18(19)31-4)22(28)25-20(21-24-10-11-27(21)3)15-6-5-7-17(23)12-15/h5-14,20,26H,1-4H3,(H,25,28)
InChIKeyMIOIILUFSOUSLU-UHFFFAOYSA-N
XLogP2.77
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 46528303) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MIOIILUFSOUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-14(2)26-32(29,30)19-13-16(8-9-18(19)31-4)22(28)25-20(21-24-10-11-27(21)3)15-6-5-7-17(23)12-15/h5-14,20,26H,1-4H3,(H,25,28).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46528303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).