3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide

C30H28N4O4S — CID 23017606

IUPAC3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C30H28N4O4S/c35-30(33-39(36,37)28-7-3-15-31-21-28)13-12-26-11-9-24(22-34-17-4-16-32-34)20-29(26)38-18-14-23-8-10-25-5-1-2-6-27(25)19-23/h1-11,15-17,19-21H,12-14,18,22H2,(H,33,35)
InChIKeyZIBNPXSFCSQQNQ-UHFFFAOYSA-N
MW540.65 g/mol
LogP4.54
Rot. Bonds11

About 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide

3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 23017606) has the molecular formula C30H28N4O4S and a molecular weight of 540.65 g/mol. Its IUPAC name is 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide
PubChem CID23017606
Molecular FormulaC30H28N4O4S
Molecular Weight540.65 g/mol
Exact Mass540.18
IUPAC Name3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C30H28N4O4S/c35-30(33-39(36,37)28-7-3-15-31-21-28)13-12-26-11-9-24(22-34-17-4-16-32-34)20-29(26)38-18-14-23-8-10-25-5-1-2-6-27(25)19-23/h1-11,15-17,19-21H,12-14,18,22H2,(H,33,35)
InChIKeyZIBNPXSFCSQQNQ-UHFFFAOYSA-N
XLogP4.54
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-cyanophenylsulfonyl)propanamide
CID 23016838
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-phenoxyethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
CID 23016842
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chloro-4-methylphenylsulfonyl)propanamide
CID 23016900
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(methyl(phenyl)amino)ethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
CID 23017255
3-(4-((1H-pyrazol-1-yl)methyl)-2-phenethoxyphenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
CID 23017297
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chloro-4-fluorophenylsulfonyl)propanamide
CID 23017311
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(phenylsulfonyl)propanamide
CID 23017347
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(4-methylthiazol-2-ylsulfonyl)propanamide
CID 23017402
N-(3,4-difluorophenylsulfonyl)-3-(2-(2-(naphthalen-2-yl)ethoxy)-4-((pyridin-3-yloxy)methyl)phenyl)propanamide
CID 23017414
3-(4-((1H-pyrazol-1-yl)methyl)-2-(3-morpholinophenethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
CID 23017529
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(5-methylfuran-2-ylsulfonyl)propanamide
CID 23017539
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-dichlorophenylsulfonyl)propanamide
CID 23017638

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide (CID 23017606) is 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide is O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is ZIBNPXSFCSQQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4S/c35-30(33-39(36,37)28-7-3-15-31-21-28)13-12-26-11-9-24(22-34-17-4-16-32-34)20-29(26)38-18-14-23-8-10-25-5-1-2-6-27(25)19-23/h1-11,15-17,19-21H,12-14,18,22H2,(H,33,35).
What are the key properties of 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide?
3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 540.65 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]-N-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 23017606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).