2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide

C18H23N3O4S — CID 166220350

IUPAC2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCS(=O)(=O)c1cccc(CC(=O)Nc2cc(C3CCCOC3)[nH]n2)c1
InChIInChI=1S/C18H23N3O4S/c1-2-26(23,24)15-7-3-5-13(9-15)10-18(22)19-17-11-16(20-21-17)14-6-4-8-25-12-14/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H2,19,20,21,22)
InChIKeyCFFHVOGETRMZSG-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.28
Rot. Bonds6

About 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide

2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 166220350) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID166220350
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCS(=O)(=O)c1cccc(CC(=O)Nc2cc(C3CCCOC3)[nH]n2)c1
InChIInChI=1S/C18H23N3O4S/c1-2-26(23,24)15-7-3-5-13(9-15)10-18(22)19-17-11-16(20-21-17)14-6-4-8-25-12-14/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H2,19,20,21,22)
InChIKeyCFFHVOGETRMZSG-UHFFFAOYSA-N
XLogP2.28
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
CID 166220793
2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
CID 136528352

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide (CID 166220350) is 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide is CCS(=O)(=O)c1cccc(CC(=O)Nc2cc(C3CCCOC3)[nH]n2)c1.
What is the InChIKey of 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is CFFHVOGETRMZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-2-26(23,24)15-7-3-5-13(9-15)10-18(22)19-17-11-16(20-21-17)14-6-4-8-25-12-14/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide?
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 166220350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).