N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C23H25FN4O3S — CID 55819755

IUPACN-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-17-19(8-11-22(21)28-16-4-13-25-28)26-23(29)12-7-18-5-9-20(10-6-18)32(30,31)27-14-2-1-3-15-27/h4-6,8-11,13,16-17H,1-3,7,12,14-15H2,(H,26,29)
InChIKeySESDXUIMUNTDAC-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.76
Rot. Bonds7

About N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55819755) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55819755
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-17-19(8-11-22(21)28-16-4-13-25-28)26-23(29)12-7-18-5-9-20(10-6-18)32(30,31)27-14-2-1-3-15-27/h4-6,8-11,13,16-17H,1-3,7,12,14-15H2,(H,26,29)
InChIKeySESDXUIMUNTDAC-UHFFFAOYSA-N
XLogP3.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55813669
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55819755) is N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SESDXUIMUNTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c24-21-17-19(8-11-22(21)28-16-4-13-25-28)26-23(29)12-7-18-5-9-20(10-6-18)32(30,31)27-14-2-1-3-15-27/h4-6,8-11,13,16-17H,1-3,7,12,14-15H2,(H,26,29).
What are the key properties of N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 456.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55819755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).