N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H24FN5O3S — CID 55813669

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C22H24FN5O3S/c23-20-14-18(7-10-21(20)28-16-24-15-25-28)26-22(29)11-6-17-4-8-19(9-5-17)32(30,31)27-12-2-1-3-13-27/h4-5,7-10,14-16H,1-3,6,11-13H2,(H,26,29)
InChIKeyAIGCWPFCFWWZSW-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.15
Rot. Bonds7

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55813669) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55813669
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C22H24FN5O3S/c23-20-14-18(7-10-21(20)28-16-24-15-25-28)26-22(29)11-6-17-4-8-19(9-5-17)32(30,31)27-12-2-1-3-13-27/h4-5,7-10,14-16H,1-3,6,11-13H2,(H,26,29)
InChIKeyAIGCWPFCFWWZSW-UHFFFAOYSA-N
XLogP3.15
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55819755
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 55813608
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55813669) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is AIGCWPFCFWWZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c23-20-14-18(7-10-21(20)28-16-24-15-25-28)26-22(29)11-6-17-4-8-19(9-5-17)32(30,31)27-12-2-1-3-13-27/h4-5,7-10,14-16H,1-3,6,11-13H2,(H,26,29).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 457.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).