2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide

C16H21N3O3S — CID 71986049

IUPAC2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCCCS(=O)(=O)CC(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H21N3O3S/c1-3-10-23(21,22)12-16(20)18-13(2)14-6-4-7-15(11-14)19-9-5-8-17-19/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)
InChIKeyGWBBGBOIINCYJC-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.87
Rot. Bonds7

About 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide

2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 71986049) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID71986049
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCCCS(=O)(=O)CC(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H21N3O3S/c1-3-10-23(21,22)12-16(20)18-13(2)14-6-4-7-15(11-14)19-9-5-8-17-19/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)
InChIKeyGWBBGBOIINCYJC-UHFFFAOYSA-N
XLogP1.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-pyrazol-1-ylphenyl)phenyl]butanamide
CID 56950605
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 11723357
1,3-Diphenyl-1H-pyrazole-4-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
CID 649330
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(methylthio)acetamide
CID 23723723
N-cyclopentyl-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]acetamide
CID 32159629
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(methylthio)propanamide
CID 23723863
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 42953143
2-(carbamoylamino)-4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 45805587
N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 45808691
N-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 45808692

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide (CID 71986049) is 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide is CCCS(=O)(=O)CC(=O)NC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is GWBBGBOIINCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-10-23(21,22)12-16(20)18-13(2)14-6-4-7-15(11-14)19-9-5-8-17-19/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 71986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).