N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide

C15H20N4O3S — CID 22204152

IUPACN-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C15H20N4O3S/c1-4-19-11-13(9-16-19)10-18(3)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyLMSAAKASVPUGFM-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.68
Rot. Bonds6

About N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 22204152) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID22204152
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C15H20N4O3S/c1-4-19-11-13(9-16-19)10-18(3)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyLMSAAKASVPUGFM-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide (CID 22204152) is N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is LMSAAKASVPUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-19-11-13(9-16-19)10-18(3)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-9,11H,4,10H2,1-3H3,(H,17,20).
What are the key properties of N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(1-ethylpyrazol-4-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-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22204152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).