2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C16H20N4O3S — CID 51078002

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)S(C)(=O)=O
InChIInChI=1S/C16H20N4O3S/c1-19(24(2,22)23)11-15(21)17-16-13-9-6-10-14(13)18-20(16)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21)
InChIKeyBCXPBQNVCLXWFB-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.19
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 51078002) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID51078002
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)S(C)(=O)=O
InChIInChI=1S/C16H20N4O3S/c1-19(24(2,22)23)11-15(21)17-16-13-9-6-10-14(13)18-20(16)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21)
InChIKeyBCXPBQNVCLXWFB-UHFFFAOYSA-N
XLogP1.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 51078002) is 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is CN(CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is BCXPBQNVCLXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-19(24(2,22)23)11-15(21)17-16-13-9-6-10-14(13)18-20(16)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 51078002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).