N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O4S — CID 3352336

IUPACN-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1N(C(=O)COCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H21N3O4S/c1-12-16(13(2)18(3)17-12)19(24(4,21)22)15(20)11-23-10-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3
InChIKeyWFKGJJUCFVRTIN-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.55
Rot. Bonds6

About N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 3352336) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID3352336
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1N(C(=O)COCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H21N3O4S/c1-12-16(13(2)18(3)17-12)19(24(4,21)22)15(20)11-23-10-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3
InChIKeyWFKGJJUCFVRTIN-UHFFFAOYSA-N
XLogP1.55
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 3352336) is N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1N(C(=O)COCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WFKGJJUCFVRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-16(13(2)18(3)17-12)19(24(4,21)22)15(20)11-23-10-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3.
What are the key properties of N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3352336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).