N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide

C15H20N4O3S — CID 47812992

IUPACN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-19(11-13-9-16-18(3)10-13)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyASDVKFJJMXZDQB-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.59
Rot. Bonds6

About N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 47812992) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID47812992
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-19(11-13-9-16-18(3)10-13)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyASDVKFJJMXZDQB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide (CID 47812992) is N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ASDVKFJJMXZDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-19(11-13-9-16-18(3)10-13)23(21,22)15-7-5-14(6-8-15)17-12(2)20/h5-10H,4,11H2,1-3H3,(H,17,20).
What are the key properties of N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 47812992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).