N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide

C19H18N6O4S — CID 31914181

IUPACN-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1NC(C)=O
InChIInChI=1S/C19H18N6O4S/c1-12(26)23-16-9-14(7-8-18(16)29-2)30(27,28)24-15-5-3-4-6-17(15)25-19(21)13(10-20)11-22-25/h3-9,11,24H,21H2,1-2H3,(H,23,26)
InChIKeyFLXDYVWDIPGYKA-UHFFFAOYSA-N
MW426.46 g/mol
LogP2.09
Rot. Bonds6

About N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 31914181) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID31914181
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC NameN-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1NC(C)=O
InChIInChI=1S/C19H18N6O4S/c1-12(26)23-16-9-14(7-8-18(16)29-2)30(27,28)24-15-5-3-4-6-17(15)25-19(21)13(10-20)11-22-25/h3-9,11,24H,21H2,1-2H3,(H,23,26)
InChIKeyFLXDYVWDIPGYKA-UHFFFAOYSA-N
XLogP2.09
TPSA152.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 31914181) is N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1NC(C)=O.
What is the InChIKey of N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is FLXDYVWDIPGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-12(26)23-16-9-14(7-8-18(16)29-2)30(27,28)24-15-5-3-4-6-17(15)25-19(21)13(10-20)11-22-25/h3-9,11,24H,21H2,1-2H3,(H,23,26).
What are the key properties of N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 31914181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).