3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide

C24H27FN4O4S — CID 46647818

IUPAC3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H27FN4O4S/c1-29-13-12-26-23(29)22(16-6-5-7-18(25)14-16)27-24(30)17-10-11-20(33-2)21(15-17)34(31,32)28-19-8-3-4-9-19/h5-7,10-15,19,22,28H,3-4,8-9H2,1-2H3,(H,27,30)
InChIKeyIYCHNBIZMUYCSF-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.31
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 46647818) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID46647818
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H27FN4O4S/c1-29-13-12-26-23(29)22(16-6-5-7-18(25)14-16)27-24(30)17-10-11-20(33-2)21(15-17)34(31,32)28-19-8-3-4-9-19/h5-7,10-15,19,22,28H,3-4,8-9H2,1-2H3,(H,27,30)
InChIKeyIYCHNBIZMUYCSF-UHFFFAOYSA-N
XLogP3.31
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (CID 46647818) is 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is IYCHNBIZMUYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-29-13-12-26-23(29)22(16-6-5-7-18(25)14-16)27-24(30)17-10-11-20(33-2)21(15-17)34(31,32)28-19-8-3-4-9-19/h5-7,10-15,19,22,28H,3-4,8-9H2,1-2H3,(H,27,30).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 486.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 46647818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).