N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide

C14H18N4O3S — CID 22209298

IUPACN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
SMILESCCn1ncc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C14H18N4O3S/c1-4-18-10(2)14(9-15-18)17-22(20,21)13-7-5-12(6-8-13)16-11(3)19/h5-9,17H,4H2,1-3H3,(H,16,19)
InChIKeyFWXJRFQCLBWZNI-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 22209298) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID22209298
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
SMILESCCn1ncc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C14H18N4O3S/c1-4-18-10(2)14(9-15-18)17-22(20,21)13-7-5-12(6-8-13)16-11(3)19/h5-9,17H,4H2,1-3H3,(H,16,19)
InChIKeyFWXJRFQCLBWZNI-UHFFFAOYSA-N
XLogP1.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide (CID 22209298) is N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide is CCn1ncc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is FWXJRFQCLBWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-18-10(2)14(9-15-18)17-22(20,21)13-7-5-12(6-8-13)16-11(3)19/h5-9,17H,4H2,1-3H3,(H,16,19).
What are the key properties of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22209298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).