N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide

C16H22N4O4S — CID 146287868

IUPACN-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c(C)c(COCc2ccccc2)nn1S(=O)(=O)N(C)C
InChIInChI=1S/C16H22N4O4S/c1-12-15(11-24-10-14-8-6-5-7-9-14)18-20(16(12)17-13(2)21)25(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyXSPGYEZYZDJUFP-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.52
Rot. Bonds7

About N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide

N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide (PubChem CID 146287868) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide
PubChem CID146287868
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c(C)c(COCc2ccccc2)nn1S(=O)(=O)N(C)C
InChIInChI=1S/C16H22N4O4S/c1-12-15(11-24-10-14-8-6-5-7-9-14)18-20(16(12)17-13(2)21)25(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyXSPGYEZYZDJUFP-UHFFFAOYSA-N
XLogP1.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide (CID 146287868) is N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide is CC(=O)Nc1c(C)c(COCc2ccccc2)nn1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide?
The InChIKey is XSPGYEZYZDJUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12-15(11-24-10-14-8-6-5-7-9-14)18-20(16(12)17-13(2)21)25(22,23)19(3)4/h5-9H,10-11H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide?
N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 146287868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).