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

C28H27F2N3O3S — CID 70861235

IUPACN-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1CCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C28H27F2N3O3S/c29-26-14-13-25(19-27(26)30)37(35,36)32-28(34)15-12-23-11-10-22(20-33-17-5-16-31-33)18-24(23)9-4-8-21-6-2-1-3-7-21/h1-3,5-7,10-11,13-14,16-19H,4,8-9,12,15,20H2,(H,32,34)
InChIKeyOJVCJDCWDHIRAR-UHFFFAOYSA-N
MW523.61 g/mol
LogP4.82
Rot. Bonds11

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

N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 70861235) has the molecular formula C28H27F2N3O3S and a molecular weight of 523.61 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID70861235
Molecular FormulaC28H27F2N3O3S
Molecular Weight523.61 g/mol
Exact Mass523.17
IUPAC NameN-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1CCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C28H27F2N3O3S/c29-26-14-13-25(19-27(26)30)37(35,36)32-28(34)15-12-23-11-10-22(20-33-17-5-16-31-33)18-24(23)9-4-8-21-6-2-1-3-7-21/h1-3,5-7,10-11,13-14,16-19H,4,8-9,12,15,20H2,(H,32,34)
InChIKeyOJVCJDCWDHIRAR-UHFFFAOYSA-N
XLogP4.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide
CID 71453597
US9580411, Example 82
CID 73507644
US11530200, Example 2
CID 155463940
US11530200, Example 11
CID 155464272
US11530200, Example 24
CID 156064844
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
2,4-difluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17509469
N-naphthalen-2-ylsulfonyl-4-pyrazol-1-ylbutanamide
CID 72022060
(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
CID 95977686
(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
CID 97803717
2-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-(pyrazol-1-ylmethyl)benzamide
CID 23016723

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 70861235) is N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccc(Cn2cccn2)cc1CCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is OJVCJDCWDHIRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O3S/c29-26-14-13-25(19-27(26)30)37(35,36)32-28(34)15-12-23-11-10-22(20-33-17-5-16-31-33)18-24(23)9-4-8-21-6-2-1-3-7-21/h1-3,5-7,10-11,13-14,16-19H,4,8-9,12,15,20H2,(H,32,34).
What are the key properties of N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 523.61 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)sulfonyl-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 70861235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).