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

C22H23FN4O4S — CID 42894911

IUPAC3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H23FN4O4S/c1-27-12-11-24-21(27)20(14-3-6-16(23)7-4-14)25-22(28)15-5-10-18(31-2)19(13-15)32(29,30)26-17-8-9-17/h3-7,10-13,17,20,26H,8-9H2,1-2H3,(H,25,28)
InChIKeyAYWJYCQKXKQRAB-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.53
Rot. Bonds8

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

3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 42894911) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID42894911
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H23FN4O4S/c1-27-12-11-24-21(27)20(14-3-6-16(23)7-4-14)25-22(28)15-5-10-18(31-2)19(13-15)32(29,30)26-17-8-9-17/h3-7,10-13,17,20,26H,8-9H2,1-2H3,(H,25,28)
InChIKeyAYWJYCQKXKQRAB-UHFFFAOYSA-N
XLogP2.53
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide (CID 42894911) is 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is AYWJYCQKXKQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-27-12-11-24-21(27)20(14-3-6-16(23)7-4-14)25-22(28)15-5-10-18(31-2)19(13-15)32(29,30)26-17-8-9-17/h3-7,10-13,17,20,26H,8-9H2,1-2H3,(H,25,28).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 458.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 42894911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).