2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C19H28N4O3S — CID 60548087

IUPAC2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CC(=O)N(C)Cc2ccccc2C)c1C
InChIInChI=1S/C19H28N4O3S/c1-7-22(6)27(25,26)19-15(3)20-23(16(19)4)13-18(24)21(5)12-17-11-9-8-10-14(17)2/h8-11H,7,12-13H2,1-6H3
InChIKeyHHHUTUJALJMWEX-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.11
Rot. Bonds7

About 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60548087) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60548087
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CC(=O)N(C)Cc2ccccc2C)c1C
InChIInChI=1S/C19H28N4O3S/c1-7-22(6)27(25,26)19-15(3)20-23(16(19)4)13-18(24)21(5)12-17-11-9-8-10-14(17)2/h8-11H,7,12-13H2,1-6H3
InChIKeyHHHUTUJALJMWEX-UHFFFAOYSA-N
XLogP2.11
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 60548087) is 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CCN(C)S(=O)(=O)c1c(C)nn(CC(=O)N(C)Cc2ccccc2C)c1C.
What is the InChIKey of 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is HHHUTUJALJMWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-7-22(6)27(25,26)19-15(3)20-23(16(19)4)13-18(24)21(5)12-17-11-9-8-10-14(17)2/h8-11H,7,12-13H2,1-6H3.
What are the key properties of 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 392.53 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60548087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).