N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide

C15H20N4O3S — CID 22209486

IUPACN-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-10-15(11(2)19(4)18-10)9-16-23(21,22)14-7-5-13(6-8-14)17-12(3)20/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyYTSKZEMJECGSJC-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.47
Rot. Bonds5

About N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 22209486) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID22209486
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-10-15(11(2)19(4)18-10)9-16-23(21,22)14-7-5-13(6-8-14)17-12(3)20/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyYTSKZEMJECGSJC-UHFFFAOYSA-N
XLogP1.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
N-[4-[4-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166288271
N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
CID 172691631
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide (CID 22209486) is N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is YTSKZEMJECGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-15(11(2)19(4)18-10)9-16-23(21,22)14-7-5-13(6-8-14)17-12(3)20/h5-8,16H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22209486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).