2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

C20H22N4O4S — CID 17394458

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N4O4S/c1-14-20(29(26,27)24-10-9-16-6-3-4-8-18(16)24)15(2)23(22-14)13-19(25)21-12-17-7-5-11-28-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,25)
InChIKeyFSLDEFHMQVAZDG-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 17394458) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID17394458
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N4O4S/c1-14-20(29(26,27)24-10-9-16-6-3-4-8-18(16)24)15(2)23(22-14)13-19(25)21-12-17-7-5-11-28-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,25)
InChIKeyFSLDEFHMQVAZDG-UHFFFAOYSA-N
XLogP2.16
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 17394458) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1nn(CC(=O)NCc2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FSLDEFHMQVAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-20(29(26,27)24-10-9-16-6-3-4-8-18(16)24)15(2)23(22-14)13-19(25)21-12-17-7-5-11-28-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 17394458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).