N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide

C18H19N5O3S — CID 71797655

IUPACN-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(24)21-14-6-8-16(9-7-14)27(25,26)20-12-15-11-18(23(2)22-15)17-5-3-4-10-19-17/h3-11,20H,12H2,1-2H3,(H,21,24)
InChIKeyAESGPFMQZHCDDK-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.92
Rot. Bonds6

About N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 71797655) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID71797655
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(24)21-14-6-8-16(9-7-14)27(25,26)20-12-15-11-18(23(2)22-15)17-5-3-4-10-19-17/h3-11,20H,12H2,1-2H3,(H,21,24)
InChIKeyAESGPFMQZHCDDK-UHFFFAOYSA-N
XLogP1.92
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
CID 4878270
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
N-[4-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]acetamide
CID 16251672
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
1-(5-Methylpyrrolo[1,2-b]pyridazin-6-yl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
CID 122179669
N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 1091854
N-[4-[[[2-(2-Pyridinyl)ethyl]amino]sulfonyl]phenyl]acetamide
CID 2562500
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
US9156811, Ddd71294
CID 57391848

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide (CID 71797655) is N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1.
What is the InChIKey of N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is AESGPFMQZHCDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13(24)21-14-6-8-16(9-7-14)27(25,26)20-12-15-11-18(23(2)22-15)17-5-3-4-10-19-17/h3-11,20H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71797655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).