N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide

C31H32F2N4O5S — CID 23017529

IUPACN-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1cccc(N2CCOCC2)c1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C31H32F2N4O5S/c32-28-9-8-27(21-29(28)33)43(39,40)35-31(38)10-7-25-6-5-24(22-37-13-2-12-34-37)20-30(25)42-16-11-23-3-1-4-26(19-23)36-14-17-41-18-15-36/h1-6,8-9,12-13,19-21H,7,10-11,14-18,22H2,(H,35,38)
InChIKeyVVWKJHLPHXOIBG-UHFFFAOYSA-N
MW610.68 g/mol
LogP4.11
Rot. Bonds12

About N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide

N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 23017529) has the molecular formula C31H32F2N4O5S and a molecular weight of 610.68 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID23017529
Molecular FormulaC31H32F2N4O5S
Molecular Weight610.68 g/mol
Exact Mass610.21
IUPAC NameN-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1cccc(N2CCOCC2)c1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C31H32F2N4O5S/c32-28-9-8-27(21-29(28)33)43(39,40)35-31(38)10-7-25-6-5-24(22-37-13-2-12-34-37)20-30(25)42-16-11-23-3-1-4-26(19-23)36-14-17-41-18-15-36/h1-6,8-9,12-13,19-21H,7,10-11,14-18,22H2,(H,35,38)
InChIKeyVVWKJHLPHXOIBG-UHFFFAOYSA-N
XLogP4.11
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.68
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 23017529) is N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccc(Cn2cccn2)cc1OCCc1cccc(N2CCOCC2)c1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is VVWKJHLPHXOIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O5S/c32-28-9-8-27(21-29(28)33)43(39,40)35-31(38)10-7-25-6-5-24(22-37-13-2-12-34-37)20-30(25)42-16-11-23-3-1-4-26(19-23)36-14-17-41-18-15-36/h1-6,8-9,12-13,19-21H,7,10-11,14-18,22H2,(H,35,38).
What are the key properties of N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 610.68 g/mol, XLogP of 4.11, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)sulfonyl-3-[2-[2-(3-morpholin-4-ylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 23017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).