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

C20H24N4O6S2 — CID 43044139

IUPAC2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H24N4O6S2/c1-14-20(32(28,29)23(3)12-17-6-5-11-30-17)15(2)24(22-14)13-19(25)21-16-7-9-18(10-8-16)31(4,26)27/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyGPQMOUIOCHRSOH-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.96
Rot. Bonds8

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

2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 43044139) has the molecular formula C20H24N4O6S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID43044139
Molecular FormulaC20H24N4O6S2
Molecular Weight480.57 g/mol
Exact Mass480.11
IUPAC Name2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H24N4O6S2/c1-14-20(32(28,29)23(3)12-17-6-5-11-30-17)15(2)24(22-14)13-19(25)21-16-7-9-18(10-8-16)31(4,26)27/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyGPQMOUIOCHRSOH-UHFFFAOYSA-N
XLogP1.96
TPSA131.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17402856
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 110892021
N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17400356
1-[(4-bromophenyl)methyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 36660020
N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazole-4-sulfonamide
CID 45354452
N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 45356004
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 17490556
N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 17490202

Frequently Asked Questions

What is the IUPAC name of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 43044139) is 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is GPQMOUIOCHRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S2/c1-14-20(32(28,29)23(3)12-17-6-5-11-30-17)15(2)24(22-14)13-19(25)21-16-7-9-18(10-8-16)31(4,26)27/h5-11H,12-13H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 480.57 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 43044139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).