N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide

C22H26N4O4S — CID 17402856

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C22H26N4O4S/c1-15-22(31(28,29)25(3)13-20-8-5-11-30-20)16(2)26(24-15)14-21(27)23-19-10-9-17-6-4-7-18(17)12-19/h5,8-12H,4,6-7,13-14H2,1-3H3,(H,23,27)
InChIKeySAYYSKWEKKOWIL-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.04
Rot. Bonds7

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 17402856) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID17402856
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C22H26N4O4S/c1-15-22(31(28,29)25(3)13-20-8-5-11-30-20)16(2)26(24-15)14-21(27)23-19-10-9-17-6-4-7-18(17)12-19/h5,8-12H,4,6-7,13-14H2,1-3H3,(H,23,27)
InChIKeySAYYSKWEKKOWIL-UHFFFAOYSA-N
XLogP3.04
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 17402856) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is SAYYSKWEKKOWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-22(31(28,29)25(3)13-20-8-5-11-30-20)16(2)26(24-15)14-21(27)23-19-10-9-17-6-4-7-18(17)12-19/h5,8-12H,4,6-7,13-14H2,1-3H3,(H,23,27).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 17402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).