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

C19H24N4O4S2 — CID 99162499

IUPAC2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H24N4O4S2/c1-14-19(29(25,26)22(4)11-16-7-5-9-27-16)15(2)23(20-14)13-18(24)21(3)12-17-8-6-10-28-17/h5-10H,11-13H2,1-4H3
InChIKeyXAKHSUPJUTUZEE-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.63
Rot. Bonds8

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

2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 99162499) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID99162499
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H24N4O4S2/c1-14-19(29(25,26)22(4)11-16-7-5-9-27-16)15(2)23(20-14)13-18(24)21(3)12-17-8-6-10-28-17/h5-10H,11-13H2,1-4H3
InChIKeyXAKHSUPJUTUZEE-UHFFFAOYSA-N
XLogP2.63
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 99162499) is 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is Cc1nn(CC(=O)N(C)Cc2cccs2)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-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XAKHSUPJUTUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-14-19(29(25,26)22(4)11-16-7-5-9-27-16)15(2)23(20-14)13-18(24)21(3)12-17-8-6-10-28-17/h5-10H,11-13H2,1-4H3.
What are the key properties of 2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 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-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 99162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).