N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide

C23H26N4O5S — CID 17400356

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cc3ccccc3o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C23H26N4O5S/c1-15(21-12-18-8-5-6-10-20(18)32-21)24-22(28)14-27-17(3)23(16(2)25-27)33(29,30)26(4)13-19-9-7-11-31-19/h5-12,15H,13-14H2,1-4H3,(H,24,28)
InChIKeyXLQLCCJMFMPURJ-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.54
Rot. Bonds8

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 17400356) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID17400356
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cc3ccccc3o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C23H26N4O5S/c1-15(21-12-18-8-5-6-10-20(18)32-21)24-22(28)14-27-17(3)23(16(2)25-27)33(29,30)26(4)13-19-9-7-11-31-19/h5-12,15H,13-14H2,1-4H3,(H,24,28)
InChIKeyXLQLCCJMFMPURJ-UHFFFAOYSA-N
XLogP3.54
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 17400356) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)NC(C)c2cc3ccccc3o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is XLQLCCJMFMPURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15(21-12-18-8-5-6-10-20(18)32-21)24-22(28)14-27-17(3)23(16(2)25-27)33(29,30)26(4)13-19-9-7-11-31-19/h5-12,15H,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 17400356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).