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

C19H21FN4O4S — CID 36660035

IUPACN-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H21FN4O4S/c1-13-19(29(26,27)23(3)11-17-5-4-10-28-17)14(2)24(22-13)12-18(25)21-16-8-6-15(20)7-9-16/h4-10H,11-12H2,1-3H3,(H,21,25)
InChIKeyPXTLWLQLFSZPID-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.69
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 36660035) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID36660035
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC NameN-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H21FN4O4S/c1-13-19(29(26,27)23(3)11-17-5-4-10-28-17)14(2)24(22-13)12-18(25)21-16-8-6-15(20)7-9-16/h4-10H,11-12H2,1-3H3,(H,21,25)
InChIKeyPXTLWLQLFSZPID-UHFFFAOYSA-N
XLogP2.69
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 36660035) is N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is PXTLWLQLFSZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-13-19(29(26,27)23(3)11-17-5-4-10-28-17)14(2)24(22-13)12-18(25)21-16-8-6-15(20)7-9-16/h4-10H,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 36660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).