2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide

C23H26N4O4S — CID 170314500

IUPAC2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)C(C)(C)c3cnn(C)c3)nc2)cc1
InChIInChI=1S/C23H26N4O4S/c1-5-32(30,31)19-9-6-16(7-10-19)12-21(28)26-18-8-11-20(24-14-18)22(29)23(2,3)17-13-25-27(4)15-17/h6-11,13-15H,5,12H2,1-4H3,(H,26,28)
InChIKeyGMYPVWVSWYBDAD-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.95
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide (PubChem CID 170314500) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide
PubChem CID170314500
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)C(C)(C)c3cnn(C)c3)nc2)cc1
InChIInChI=1S/C23H26N4O4S/c1-5-32(30,31)19-9-6-16(7-10-19)12-21(28)26-18-8-11-20(24-14-18)22(29)23(2,3)17-13-25-27(4)15-17/h6-11,13-15H,5,12H2,1-4H3,(H,26,28)
InChIKeyGMYPVWVSWYBDAD-UHFFFAOYSA-N
XLogP2.95
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[2-(4-bromophenyl)-2-methylpropanoyl]-3-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 167156763
N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289968
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
CID 175276491
2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
CID 118144406
2-(4-ethylsulfonylphenyl)-N-[6-[(2S)-2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 146298199
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
tert-butyl N-[6-[2-methyl-2-(1-methylimidazol-4-yl)propanoyl]-3-pyridinyl]carbamate
CID 164562636
2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 122622379
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide (CID 170314500) is 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)C(C)(C)c3cnn(C)c3)nc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide?
The InChIKey is GMYPVWVSWYBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-5-32(30,31)19-9-6-16(7-10-19)12-21(28)26-18-8-11-20(24-14-18)22(29)23(2,3)17-13-25-27(4)15-17/h6-11,13-15H,5,12H2,1-4H3,(H,26,28).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 170314500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).