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

C21H24N4O6S — CID 45356004

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C21H24N4O6S/c1-13-20(32(27,28)24(4)11-17-6-5-9-29-17)14(2)25(23-13)15(3)21(26)22-16-7-8-18-19(10-16)31-12-30-18/h5-10,15H,11-12H2,1-4H3,(H,22,26)
InChIKeyIPUARZVLLDBAOU-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.84
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide (PubChem CID 45356004) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
PubChem CID45356004
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C21H24N4O6S/c1-13-20(32(27,28)24(4)11-17-6-5-9-29-17)14(2)25(23-13)15(3)21(26)22-16-7-8-18-19(10-16)31-12-30-18/h5-10,15H,11-12H2,1-4H3,(H,22,26)
InChIKeyIPUARZVLLDBAOU-UHFFFAOYSA-N
XLogP2.84
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide (CID 45356004) is N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide is Cc1nn(C(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The InChIKey is IPUARZVLLDBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-13-20(32(27,28)24(4)11-17-6-5-9-29-17)14(2)25(23-13)15(3)21(26)22-16-7-8-18-19(10-16)31-12-30-18/h5-10,15H,11-12H2,1-4H3,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide has a molecular weight of 460.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide is sourced from PubChem (CID 45356004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).