N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide

C15H20N4O3S — CID 35520805

IUPACN-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-19-14(9-10-16-19)11-18(3)23(21,22)15-7-5-13(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyBWQJUXBZTRRBDF-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.68
Rot. Bonds6

About N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 35520805) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID35520805
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-19-14(9-10-16-19)11-18(3)23(21,22)15-7-5-13(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyBWQJUXBZTRRBDF-UHFFFAOYSA-N
XLogP1.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 19582197
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 35520852
4-butan-2-yl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 44822142
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
3-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 25248155
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
bis[[(4-acetamidophenyl)sulfonyl-methylamino]methoxy]-oxophosphanium
CID 70371614
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide (CID 35520805) is N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide is CCn1nccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is BWQJUXBZTRRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-19-14(9-10-16-19)11-18(3)23(21,22)15-7-5-13(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20).
What are the key properties of N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 35520805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).