N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

C15H20N4O3S — CID 15943579

IUPACN-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-11-10-12(2)19(18-11)9-8-16-23(21,22)15-6-4-14(5-7-15)17-13(3)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyALRXJHKXOCKBLA-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.44
Rot. Bonds6

About N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 15943579) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID15943579
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-11-10-12(2)19(18-11)9-8-16-23(21,22)15-6-4-14(5-7-15)17-13(3)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyALRXJHKXOCKBLA-UHFFFAOYSA-N
XLogP1.44
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide
CID 86278564
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 2556847
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl}acetamide
CID 659817
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1-methyl-N-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (CID 15943579) is N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1.
What is the InChIKey of N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is ALRXJHKXOCKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-10-12(2)19(18-11)9-8-16-23(21,22)15-6-4-14(5-7-15)17-13(3)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 15943579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).