5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

C24H25F3N2O4S — CID 4084693

IUPAC5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C24H25F3N2O4S/c1-15-20-14-19(34(31,32)29(2)18-9-4-3-5-10-18)11-12-21(20)33-22(15)23(30)28-17-8-6-7-16(13-17)24(25,26)27/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,28,30)
InChIKeyLKAFLBWXZBSALT-UHFFFAOYSA-N
MW494.54 g/mol
LogP5.97
Rot. Bonds5

About 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 4084693) has the molecular formula C24H25F3N2O4S and a molecular weight of 494.54 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID4084693
Molecular FormulaC24H25F3N2O4S
Molecular Weight494.54 g/mol
Exact Mass494.15
IUPAC Name5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C24H25F3N2O4S/c1-15-20-14-19(34(31,32)29(2)18-9-4-3-5-10-18)11-12-21(20)33-22(15)23(30)28-17-8-6-7-16(13-17)24(25,26)27/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,28,30)
InChIKeyLKAFLBWXZBSALT-UHFFFAOYSA-N
XLogP5.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (CID 4084693) is 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12.
What is the InChIKey of 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LKAFLBWXZBSALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4S/c1-15-20-14-19(34(31,32)29(2)18-9-4-3-5-10-18)11-12-21(20)33-22(15)23(30)28-17-8-6-7-16(13-17)24(25,26)27/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,28,30).
What are the key properties of 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4084693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).