N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C19H20N4O3S — CID 22202106

IUPACN-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-5-3-4-6-16(14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyCVYNCCAYJUAOFH-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22202106) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22202106
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-5-3-4-6-16(14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyCVYNCCAYJUAOFH-UHFFFAOYSA-N
XLogP3.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22202106) is N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1.
What is the InChIKey of N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is CVYNCCAYJUAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-5-3-4-6-16(14)13-23-12-11-19(21-23)22-27(25,26)18-9-7-17(8-10-18)20-15(2)24/h3-12H,13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22202106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).